4-[(3-cyclopentyloxy-4-methoxy-phenyl)-[(5-fluoranylpyridin-3-yl)methyl]amino]benzoic acid

Systemtic Name: 4-[(3-cyclopentyloxy-4-methoxy-phenyl)-[(5-fluoranylpyridin-3-yl)methyl]amino]benzoic acid Openeye Name: 4-[3-(cyclopentoxy)-N-[(5-fluoro-3-pyridyl)methyl]-4-methoxy-anilino]benzoic acid CAS Name: 4-[3-cyclopentyloxy-N-[(5-fluoro-3-pyridinyl)methyl]-4-methoxyanilino]benzoic acid IUPAC Name: 4-[3-cyclopentyloxy-N-[(5-fluoropyridin-3-yl)methyl]-4-methoxyanilino]benzoic acid Traditional Name: 4-[3-(cyclopentoxy)-N-[(5-fluoro-3-pyridyl)methyl]-4-methoxy-anilino]benzoic acid Formula: C25H25FN2O4 MolecularWeight: 436.475403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25FN2O4/c1-31-23-11-10-21(13-24(23)32-22-4-2-3-5-22)28(16-17-12-19(26)15-27-14-17)20-8-6-18(7-9-20)25(29)30/h6-15,22H,2-5,16H2,1H3,(H,29,30)