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

Systemtic Name: 1-[(3-chlorophenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-chlorophenyl)-(3,5-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-chlorophenyl)-(3,5-dimethylphenyl)methyl]isonipecotic acid Formula: C21H24ClNO2 MolecularWeight: 357.87376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=CC=C2)Cl)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=CC=C2)Cl)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C21H24ClNO2/c1-14-10-15(2)12-18(11-14)20(17-4-3-5-19(22)13-17)23-8-6-16(7-9-23)21(24)25/h3-5,10-13,16,20H,6-9H2,1-2H3,(H,24,25)