1-[(2,4-dichlorophenyl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(p-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(4-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(p-tolyl)methyl]isonipecotic acid Formula: C20H21Cl2NO2 MolecularWeight: 378.29224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2NO2/c1-13-2-4-14(5-3-13)19(17-7-6-16(21)12-18(17)22)23-10-8-15(9-11-23)20(24)25/h2-7,12,15,19H,8-11H2,1H3,(H,24,25)