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

Systemtic Name: 3-[(3-cyclopentyloxy-2-fluoranyl-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[3-(cyclopentoxy)-2-fluoro-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[3-cyclopentyloxy-2-fluoro-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[3-cyclopentyloxy-2-fluoro-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[3-(cyclopentoxy)-2-fluoro-4-methoxy-N-(3-pyridylmethyl)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=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/c1-31-22-12-11-21(23(26)24(22)32-20-9-2-3-10-20)28(16-17-6-5-13-27-15-17)19-8-4-7-18(14-19)25(29)30/h4-8,11-15,20H,2-3,9-10,16H2,1H3,(H,29,30)