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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-fluorophenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=CC=C2)F)N3CCCC(C3)C(=O)O)F

InChI

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