1-[(3-fluoranyl-4-methoxy-phenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-fluorophenyl)methyl]isonipecotic acid Formula: C20H21F2NO3 MolecularWeight: 361.382446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O)F

InChI

InChI=1S/C20H21F2NO3/c1-26-18-6-5-15(12-17(18)22)19(14-3-2-4-16(21)11-14)23-9-7-13(8-10-23)20(24)25/h2-6,11-13,19H,7-10H2,1H3,(H,24,25)