1-[(2-chlorophenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-chlorophenyl)-(3,4-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-chlorophenyl)-(3,4-dimethoxyphenyl)methyl]isonipecotic acid Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CC=C2Cl)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CC=C2Cl)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C21H24ClNO4/c1-26-18-8-7-15(13-19(18)27-2)20(16-5-3-4-6-17(16)22)23-11-9-14(10-12-23)21(24)25/h3-8,13-14,20H,9-12H2,1-2H3,(H,24,25)