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C3I

Summary
Name:N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
Formula:C22 H26 N2 O3
Formal charge:0
Formula weight:366.453 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
OpenEye OEToolkits2.0.7~{N}-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-~{N}-methyl-1-phenyl-cyclopentane-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N(C)CC(=O)Nc1ccc(OC)cc1)C1(CCCC1)c1ccccc1
InChIInChI1.03InChI=1S/C22H26N2O3/c1-24(16-20(25)23-18-10-12-19(27-2)13-11-18)21(26)22(14-6-7-15-22)17-8-4-3-5-9-17/h3-5,8-13H,6-7,14-16H2,1-2H3,(H,23,25)
InChIKeyInChI1.03DKCHMKRLQSFONS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(NC(=O)CN(C)C(=O)C2(CCCC2)c3ccccc3)cc1
SMILESCACTVS3.385COc1ccc(NC(=O)CN(C)C(=O)C2(CCCC2)c3ccccc3)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(CC(=O)Nc1ccc(cc1)OC)C(=O)C2(CCCC2)c3ccccc3
SMILESOpenEye OEToolkits2.0.7CN(CC(=O)Nc1ccc(cc1)OC)C(=O)C2(CCCC2)c3ccccc3

222415

数据于2024-07-10公开中

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