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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O

InChI

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