3-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]-5-fluoranyl-benzoic acid

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]-5-fluoranyl-benzoic acid Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]-5-fluoro-benzoic acid CAS Name: 3-[3-cyclopentyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]-5-fluorobenzoic acid IUPAC Name: 3-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]-5-fluorobenzoic acid Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]-5-fluoro-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=CN=CC=C2)C3=CC(=CC(=C3)C(=O)O)F)OC4CCCC4

Isomeric SMILES

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

InChI

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