3-[(3-cyclopentyloxy-4-methoxy-phenyl)-[(3-fluorophenyl)methyl]amino]benzoic acid

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)-[(3-fluorophenyl)methyl]amino]benzoic acid Openeye Name: 3-[3-(cyclopentoxy)-N-[(3-fluorophenyl)methyl]-4-methoxy-anilino]benzoic acid CAS Name: 3-[3-cyclopentyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyanilino]benzoic acid IUPAC Name: 3-[3-cyclopentyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyanilino]benzoic acid Traditional Name: 3-[3-(cyclopentoxy)-N-(3-fluorobenzyl)-4-methoxy-anilino]benzoic acid Formula: C26H26FNO4 MolecularWeight: 435.487343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=CC(=CC=C2)F)C3=CC=CC(=C3)C(=O)O)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CC(=CC=C2)F)C3=CC=CC(=C3)C(=O)O)OC4CCCC4

InChI

InChI=1S/C26H26FNO4/c1-31-24-13-12-22(16-25(24)32-23-10-2-3-11-23)28(17-18-6-4-8-20(27)14-18)21-9-5-7-19(15-21)26(29)30/h4-9,12-16,23H,2-3,10-11,17H2,1H3,(H,29,30)