5-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]-2-fluoranyl-benzoic acid Openeye Name: 5-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]-2-fluoro-benzoic acid CAS Name: 5-[3-cyclopentyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]-2-fluorobenzoic acid IUPAC Name: 5-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]-2-fluorobenzoic acid Traditional Name: 5-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]-2-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(=C(C=C3)F)C(=O)O)OC4CCCC4

Isomeric SMILES

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

InChI

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