1-[(3,4-dichlorophenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(2-methoxyphenyl)methyl]nipecotic acid Formula: C20H21Cl2NO3 MolecularWeight: 394.29164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H21Cl2NO3/c1-26-18-7-3-2-6-15(18)19(13-8-9-16(21)17(22)11-13)23-10-4-5-14(12-23)20(24)25/h2-3,6-9,11,14,19H,4-5,10,12H2,1H3,(H,24,25)