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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25FN2O4/c1-31-23-10-9-21(13-24(23)32-22-7-2-3-8-22)28(16-17-11-19(26)15-27-14-17)20-6-4-5-18(12-20)25(29)30/h4-6,9-15,22H,2-3,7-8,16H2,1H3,(H,29,30)