2-(4-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-piperidine-3-carboxylic acid CAS Name: 2-(4-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxopiperidine-3-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-1-homoveratryl-6-keto-nipecotic acid Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(C(CCC2=O)C(=O)O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(C(CCC2=O)C(=O)O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C22H24ClNO5/c1-28-18-9-3-14(13-19(18)29-2)11-12-24-20(25)10-8-17(22(26)27)21(24)15-4-6-16(23)7-5-15/h3-7,9,13,17,21H,8,10-12H2,1-2H3,(H,26,27)