1-[(3-chlorophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-chlorophenyl)-(2,6-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-chlorophenyl)-(2,6-dimethoxyphenyl)methyl]nipecotic acid Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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