1-[(3-fluoranyl-4-methoxy-phenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(2-methoxyphenyl)methyl]nipecotic acid Formula: C21H24FNO4 MolecularWeight: 373.417963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O)F

InChI

InChI=1S/C21H24FNO4/c1-26-18-8-4-3-7-16(18)20(14-9-10-19(27-2)17(22)12-14)23-11-5-6-15(13-23)21(24)25/h3-4,7-10,12,15,20H,5-6,11,13H2,1-2H3,(H,24,25)