1-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]nipecotic acid Formula: C21H23Cl2NO2 MolecularWeight: 392.31882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C21H23Cl2NO2/c1-13-8-14(2)10-16(9-13)20(18-6-5-17(22)11-19(18)23)24-7-3-4-15(12-24)21(25)26/h5-6,8-11,15,20H,3-4,7,12H2,1-2H3,(H,25,26)