1-[(4-ethylphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O

InChI

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