1-[(2-chlorophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-chlorophenyl)-(2,6-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-chlorophenyl)-(2,6-dimethoxyphenyl)methyl]isonipecotic acid Formula: C21H24ClNO4 MolecularWeight: 389.87256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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