3-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-pyridin-3-ylcarbonyl-amino]benzoic acid

Systemtic Name: 3-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-pyridin-3-ylcarbonyl-amino]benzoic acid Openeye Name: 3-[4-(difluoromethoxy)-3-methoxy-N-(pyridine-3-carbonyl)anilino]benzoic acid CAS Name: 3-[4-(difluoromethoxy)-3-methoxy-N-[oxo(3-pyridinyl)methyl]anilino]benzoic acid IUPAC Name: 3-[4-(difluoromethoxy)-3-methoxy-N-(pyridine-3-carbonyl)anilino]benzoic acid Traditional Name: 3-[4-(difluoromethoxy)-3-methoxy-N-nicotinoyl-anilino]benzoic acid Formula: C21H16F2N2O5 MolecularWeight: 414.358946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16F2N2O5/c1-29-18-11-16(7-8-17(18)30-21(22)23)25(19(26)14-5-3-9-24-12-14)15-6-2-4-13(10-15)20(27)28/h2-12,21H,1H3,(H,27,28)