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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(4-fluorophenyl)methyl]nipecotic acid Formula: C21H24FNO2 MolecularWeight: 341.419163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO2/c1-14-10-15(2)12-18(11-14)20(16-5-7-19(22)8-6-16)23-9-3-4-17(13-23)21(24)25/h5-8,10-12,17,20H,3-4,9,13H2,1-2H3,(H,24,25)