1-[(3-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]isonipecotic acid Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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