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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(3-fluorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-fluorophenyl)methyl]isonipecotic acid Formula: C22H26FNO4 MolecularWeight: 387.444543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C22H26FNO4/c1-3-28-20-14-17(7-8-19(20)27-2)21(16-5-4-6-18(23)13-16)24-11-9-15(10-12-24)22(25)26/h4-8,13-15,21H,3,9-12H2,1-2H3,(H,25,26)