(3S)-1-(4-chlorophenyl)carbonyl-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-N-(2,5-dimethoxyphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)nipecotamide Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O4/c1-27-17-9-10-19(28-2)18(12-17)23-20(25)15-4-3-11-24(13-15)21(26)14-5-7-16(22)8-6-14/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,23,25)/t15-/m0/s1