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SummaryGeometryRelated PDB entries

SD1

Summary
Name:2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
Formula:C27 H31 N3 O5
Formal charge:0
Formula weight:477.552 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
OpenEye OEToolkits1.7.02-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N)c2ccc(cc2Nc1cc(OC)c(OC)c(OC)c1)n4c(cc3C(=O)CC(Cc34)(C)C)C
SMILES_CANONICALCACTVS3.370COc1cc(Nc2cc(ccc2C(N)=O)n3c(C)cc4C(=O)CC(C)(C)Cc34)cc(OC)c1OC
SMILESCACTVS3.370COc1cc(Nc2cc(ccc2C(N)=O)n3c(C)cc4C(=O)CC(C)(C)Cc34)cc(OC)c1OC
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1cc2c(n1c3ccc(c(c3)Nc4cc(c(c(c4)OC)OC)OC)C(=O)N)CC(CC2=O)(C)C
SMILESOpenEye OEToolkits1.7.0Cc1cc2c(n1c3ccc(c(c3)Nc4cc(c(c(c4)OC)OC)OC)C(=O)N)CC(CC2=O)(C)C
InChIInChI1.03InChI=1S/C27H31N3O5/c1-15-9-19-21(13-27(2,3)14-22(19)31)30(15)17-7-8-18(26(28)32)20(12-17)29-16-10-23(33-4)25(35-6)24(11-16)34-5/h7-12,29H,13-14H2,1-6H3,(H2,28,32)
InChIKeyInChI1.03ONWOLFRMYZHLEQ-UHFFFAOYSA-N

226262

PDB entries from 2024-10-16

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