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S1Z

S1Z
Name:	(2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
Formula:	C17 H18 N6 O
SMILES:	CC[CH](CO)Nc1ccc2ncc(n2n1)c3ccc4n[nH]cc4c3
InChi:	InChI=1S/C17H18N6O/c1-2-13(10-24)20-16-5-6-17-18-9-15(23(17)22-16)11-3-4-14-12(7-11)8-19-21-14/h3-9,13,24H,2,10H2,1H3,(H,19,21)(H,20,22)/t13-/m1/s1
Definition date:	2020-11-06
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

NZ8

NZ8
Name:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea
Formula:	C25 H15 Cl F3 N5 O3
SMILES:	FC(F)(F)c1cc(NC(=O)Nc2ccc3N(C(=O)c4cccnc4Oc3c2)c5ccncc5)ccc1Cl
InChi:	InChI=1S/C25H15ClF3N5O3/c26-19-5-3-14(12-18(19)25(27,28)29)32-24(36)33-15-4-6-20-21(13-15)37-22-17(2-1-9-31-22)23(35)34(20)16-7-10-30-11-8-16/h1-13H,(H2,32,33,36)
Definition date:	2020-01-13
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea

ULJ

ULJ
Name:	5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Formula:	C18 H17 Br F N5 O3
SMILES:	COc3ccc(OC)c(NC(=O)c2c(N)n(Cc1c(F)cc(cc1)Br)nn2)c3
InChi:	InChI=1S/C18H17BrFN5O3/c1-27-12-5-6-15(28-2)14(8-12)22-18(26)16-17(21)25(24-23-16)9-10-3-4-11(19)7-13(10)20/h3-8H,9,21H2,1-2H3,(H,22,26)
Definition date:	2020-05-21
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide

VFY

VFY
Name:	methyl (4~{R})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
Formula:	C16 H16 F3 N2 O4
SMILES:	COC(=O)C1=C(C)NC(=C([CH]1c2ccccc2C(F)(F)F)[N+]([OH-])=O)C
InChi:	InChI=1S/C16H16F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20,23H,1-3H3/t13-/m1/s1
Definition date:	2020-08-10
Last modified:	2020-11-13
Release date:	2020-11-18

Y94

Y94
Name:	2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide
Formula:	C24 H25 N3 O2
SMILES:	O=C(Nc1ccc(C)c(c1)C(NC(C)c2cccc3c2cccc3)=O)NCC=C
InChi:	InChI=1S/C24H25N3O2/c1-4-14-25-24(29)27-19-13-12-16(2)22(15-19)23(28)26-17(3)20-11-7-9-18-8-5-6-10-21(18)20/h4-13,15,17H,1,14H2,2-3H3,(H,26,28)(H2,25,27,29)/t17-/m1/s1
Definition date:	2020-11-10
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide

Y96

Y96
Name:	5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Formula:	C21 H20 N2 O2
SMILES:	O=C(c1c(ccc(C=NO)c1)C)NC(C)c2cccc3c2cccc3
InChi:	InChI=1S/C21H20N2O2/c1-14-10-11-16(13-22-25)12-20(14)21(24)23-15(2)18-9-5-7-17-6-3-4-8-19(17)18/h3-13,15,25H,1-2H3,(H,23,24)/b22-13+/t15-/m1/s1
Definition date:	2020-11-10
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide

O4E

O4E
Name:	3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C10 H12 Br N O S
SMILES:	CN(CCS)C(=O)c1cccc(Br)c1
InChi:	InChI=1S/C10H12BrNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3
Definition date:	2020-01-30
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

O68

O68
Name:	4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C10 H12 F N O S
SMILES:	CN(CCS)C(=O)c1ccc(F)cc1
InChi:	InChI=1S/C10H12FNOS/c1-12(6-7-14)10(13)8-2-4-9(11)5-3-8/h2-5,14H,6-7H2,1H3
Definition date:	2020-02-11
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

O85

O85
Name:	3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C10 H12 F N O S
SMILES:	CN(CCS)C(=O)c1cccc(F)c1
InChi:	InChI=1S/C10H12FNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3
Definition date:	2020-02-19
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

O9W

O9W
Name:	(~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one
Formula:	C24 H26 Cl F N6 O
SMILES:	C[CH]1CN(CCN1C(=O)C=Cc2ccc(Cl)cc2Cn3nnc(C)n3)Cc4ccc(F)cc4
InChi:	InChI=1S/C24H26ClFN6O/c1-17-14-30(15-19-3-8-23(26)9-4-19)11-12-31(17)24(33)10-6-20-5-7-22(25)13-21(20)16-32-28-18(2)27-29-32/h3-10,13,17H,11-12,14-16H2,1-2H3/b10-6+/t17-/m1/s1
Definition date:	2020-02-25
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one

OJT

OJT
Name:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid
Formula:	C36 H36 Cl2 N4 O5 S
SMILES:	COc1ccccc1C[CH](Oc2ncnc3sc(c4cccc(Cl)c4)c(c5ccc(OCCN6CCN(C)CC6)c(Cl)c5C)c23)C(O)=O
InChi:	InChI=1S/C36H36Cl2N4O5S/c1-22-26(11-12-28(32(22)38)46-18-17-42-15-13-41(2)14-16-42)30-31-34(47-29(36(43)44)20-23-7-4-5-10-27(23)45-3)39-21-40-35(31)48-33(30)24-8-6-9-25(37)19-24/h4-12,19,21,29H,13-18,20H2,1-3H3,(H,43,44)/t29-/m1/s1
Definition date:	2020-03-17
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid

OJW

OJW
Name:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid
Formula:	C38 H38 Cl F N6 O6 S
SMILES:	CN1CCN(CCOc2ccc(c(C)c2Cl)c3c(sc4ncnc(O[CH](Cc5ccccc5OCc6ccnn6C)C(O)=O)c34)c7oc(F)cc7)CC1
InChi:	InChI=1S/C38H38ClFN6O6S/c1-23-26(8-9-28(34(23)39)49-19-18-46-16-14-44(2)15-17-46)32-33-36(41-22-42-37(33)53-35(32)29-10-11-31(40)51-29)52-30(38(47)48)20-24-6-4-5-7-27(24)50-21-25-12-13-43-45(25)3/h4-13,22,30H,14-21H2,1-3H3,(H,47,48)/t30-/m1/s1
Definition date:	2020-03-17
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid

OK2

OK2
Name:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid
Formula:	C40 H38 Cl F N6 O5 S
SMILES:	CN1CCN(CCOc2ccc(c(C)c2Cl)c3c(sc4ncnc(O[CH](Cc5ccccc5OCc6cnccn6)C(O)=O)c34)c7ccc(F)cc7)CC1
InChi:	InChI=1S/C40H38ClFN6O5S/c1-25-30(11-12-32(36(25)41)51-20-19-48-17-15-47(2)16-18-48)34-35-38(45-24-46-39(35)54-37(34)26-7-9-28(42)10-8-26)53-33(40(49)50)21-27-5-3-4-6-31(27)52-23-29-22-43-13-14-44-29/h3-14,22,24,33H,15-21,23H2,1-2H3,(H,49,50)/t33-/m1/s1
Definition date:	2020-03-17
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid

OK5

OK5
Name:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
Formula:	C47 H44 Cl F N6 O6 S
SMILES:	COc1ccccc1c2nccc(COc3ccccc3C[CH](Oc4ncnc5sc(c6ccc(F)cc6)c(c7ccc(OCCN8CCN(C)CC8)c(Cl)c7C)c45)C(O)=O)n2
InChi:	InChI=1S/C47H44ClFN6O6S/c1-29-34(16-17-38(42(29)48)59-25-24-55-22-20-54(2)21-23-55)40-41-45(51-28-52-46(41)62-43(40)30-12-14-32(49)15-13-30)61-39(47(56)57)26-31-8-4-6-10-36(31)60-27-33-18-19-50-44(53-33)35-9-5-7-11-37(35)58-3/h4-19,28,39H,20-27H2,1-3H3,(H,56,57)/t39-/m1/s1
Definition date:	2020-03-17
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid

QJY

QJY
Name:	(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
Formula:	C32 H42 F2 N4 O7 S2
SMILES:	C5C(OC(=O)NC(C(CN(CC(C)C)S(c1ccc2c(c1)sc(NC(C)C)n2)(=O)=O)O)Cc3cc(F)cc(c3)F)C4C(OCC4)OC5
InChi:	InChI=1S/C32H42F2N4O7S2/c1-18(2)16-38(47(41,42)23-5-6-25-29(15-23)46-31(36-25)35-19(3)4)17-27(39)26(13-20-11-21(33)14-22(34)12-20)37-32(40)45-28-8-10-44-30-24(28)7-9-43-30/h5-6,11-12,14-15,18-19,24,26-28,30,39H,7-10,13,16-17H2,1-4H3,(H,35,36)(H,37,40)/t24-,26-,27+,28-,30+/m0/s1
Definition date:	2019-11-06
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate

QK1

QK1
Name:	(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
Formula:	C32 H43 F N4 O7 S2
SMILES:	CC(C)CN(CC(O)C(NC(OC1CCOC2C1CCO2)=O)Cc3ccc(cc3)F)S(c4cc5c(cc4)nc(s5)NC(C)C)(=O)=O
InChi:	InChI=1S/C32H43FN4O7S2/c1-19(2)17-37(46(40,41)23-9-10-25-29(16-23)45-31(35-25)34-20(3)4)18-27(38)26(15-21-5-7-22(33)8-6-21)36-32(39)44-28-12-14-43-30-24(28)11-13-42-30/h5-10,16,19-20,24,26-28,30,38H,11-15,17-18H2,1-4H3,(H,34,35)(H,36,39)/t24-,26-,27+,28-,30+/m0/s1
Definition date:	2019-11-06
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate

QKQ

QKQ
Name:	~{N}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
Formula:	C22 H21 N5 O2
SMILES:	COc1ccc(cc1)c2cncc3ccc(nc23)C(=O)NCCCn4ccnc4
InChi:	InChI=1S/C22H21N5O2/c1-29-18-6-3-16(4-7-18)19-14-24-13-17-5-8-20(26-21(17)19)22(28)25-9-2-11-27-12-10-23-15-27/h3-8,10,12-15H,2,9,11H2,1H3,(H,25,28)
Definition date:	2020-06-22
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	~{N}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide

FJF

FJF
Name:	5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione
Formula:	C9 H12 N2 O6
SMILES:	OC[CH]1O[CH]([CH](O)[CH]1O)C2=CNC(=O)NC2=O
InChi:	InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1
Definition date:	2020-05-20
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione

ELR

ELR
Name:	phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
Formula:	C20 H38 O7 P2
SMILES:	C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+/t20-/m0/s1
Definition date:	2020-01-15
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate

ELU

ELU
Name:	phosphono [(3~{R},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
Formula:	C20 H38 O7 P2
SMILES:	C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+/t20-/m1/s1
Definition date:	2020-01-15
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	phosphono [(3~{R},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate

ELX

ELX
Name:	(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
Formula:	C20 H34 O
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO
InChi:	InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+
Definition date:	2020-01-15
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

GMX

GMX
Name:	2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one
Formula:	C11 H16 N5 O8 P
SMILES:	OP(OC(C1C(C(C(O1)n2c3c(nc2)C(N=C(N)N3)=O)O)O)C)(=O)O
InChi:	InChI=1S/C11H16N5O8P/c1-3(24-25(20,21)22)7-5(17)6(18)10(23-7)16-2-13-4-8(16)14-11(12)15-9(4)19/h2-3,5-7,10,17-18H,1H3,(H2,20,21,22)(H3,12,14,15,19)/t3-,5+,6-,7-,10-/m1/s1
Definition date:	2020-01-06
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one

E80

E80
Name:	6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
Formula:	C21 H28 N2 O3
SMILES:	CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c2ccc(cn2)C(O)=O
InChi:	InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-18(15(4)5)19(11-17)26-13-14(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
Definition date:	2019-11-19
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid

E8L

E8L
Name:	6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
Formula:	C20 H26 N2 O4
SMILES:	CCN(c1ccc(C(C)C)c(OCCOC)c1)c2ccc(cn2)C(O)=O
InChi:	InChI=1S/C20H26N2O4/c1-5-22(19-9-6-15(13-21-19)20(23)24)16-7-8-17(14(2)3)18(12-16)26-11-10-25-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,23,24)
Definition date:	2019-11-19
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid

E8O

E8O
Name:	6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
Formula:	C21 H28 N2 O3
SMILES:	CCN(c1ccc(OCC(C)C)c(c1)C(C)C)c2ccc(cn2)C(O)=O
InChi:	InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-19(26-13-14(2)3)18(11-17)15(4)5/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
Definition date:	2019-11-19
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid

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