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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=CC(=CC=C2)Cl)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=CC(=CC=C2)Cl)N3CCCC(C3)C(=O)O)OC

InChI

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