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

Systemtic Name: 1-[(2,4-dimethylphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-(3-fluorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(3-fluorophenyl)methyl]isonipecotic acid Formula: C21H24FNO2 MolecularWeight: 341.419163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C21H24FNO2/c1-14-6-7-19(15(2)12-14)20(17-4-3-5-18(22)13-17)23-10-8-16(9-11-23)21(24)25/h3-7,12-13,16,20H,8-11H2,1-2H3,(H,24,25)