CV6

Summary

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl}cyclopropane-1-carboxamide
OpenEye OEToolkits	2.0.7	1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-~{N}-[1-[(2~{R})-2,3-bis(oxidanyl)propyl]-6-fluoranyl-2-(2-methyl-1-oxidanyl-propan-2-yl)indol-5-yl]cyclopropane-1-carboxamide

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)(CO)c1cc2cc(NC(=O)C3(CC3)c3ccc4OC(F)(F)Oc4c3)c(F)cc2n1CC(O)CO
InChI	InChI	1.06	InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1
InChIKey	InChI	1.06	MJUVRTYWUMPBTR-MRXNPFEDSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)(CO)c1cc2cc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)c(F)cc2n1C[C@@H](O)CO
SMILES	CACTVS	3.385	CC(C)(CO)c1cc2cc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)c(F)cc2n1C[CH](O)CO
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)(CO)c1cc2cc(c(cc2n1C[C@H](CO)O)F)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(CO)c1cc2cc(c(cc2n1CC(CO)O)F)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F