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

Systemtic Name: 1-[(3-chlorophenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-chlorophenyl)-(3,4-dichlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-chlorophenyl)-(3,4-dichlorophenyl)methyl]nipecotic acid Formula: C19H18Cl3NO2 MolecularWeight: 398.71072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)Cl)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)Cl)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C19H18Cl3NO2/c20-15-5-1-3-12(9-15)18(13-6-7-16(21)17(22)10-13)23-8-2-4-14(11-23)19(24)25/h1,3,5-7,9-10,14,18H,2,4,8,11H2,(H,24,25)