3-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]-pyridin-3-ylcarbonyl-amino]-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]-pyridin-3-ylcarbonyl-amino]-5-(trifluoromethyl)benzoic acid Openeye Name: 3-[4-methoxy-N-(pyridine-3-carbonyl)-3-tetrahydrofuran-3-yloxy-anilino]-5-(trifluoromethyl)benzoic acid CAS Name: 3-[4-methoxy-3-(3-oxolanyloxy)-N-[oxo(3-pyridinyl)methyl]anilino]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-[4-methoxy-3-(oxolan-3-yloxy)-N-(pyridine-3-carbonyl)anilino]-5-(trifluoromethyl)benzoic acid Traditional Name: 3-(4-methoxy-N-nicotinoyl-3-tetrahydrofuran-3-yloxy-anilino)-5-(trifluoromethyl)benzoic acid Formula: C25H21F3N2O6 MolecularWeight: 502.43925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(C2=CC(=CC(=C2)C(F)(F)F)C(=O)O)C(=O)C3=CN=CC=C3)OC4CCOC4

Isomeric SMILES

COC1=C(C=C(C=C1)N(C2=CC(=CC(=C2)C(F)(F)F)C(=O)O)C(=O)C3=CN=CC=C3)OC4CCOC4

InChI

InChI=1S/C25H21F3N2O6/c1-34-21-5-4-18(12-22(21)36-20-6-8-35-14-20)30(23(31)15-3-2-7-29-13-15)19-10-16(24(32)33)9-17(11-19)25(26,27)28/h2-5,7,9-13,20H,6,8,14H2,1H3,(H,32,33)