2-[[2-fluoranyl-4-(3-fluoranyl-2-methoxycarbonyl-phenyl)phenyl]methylamino]pyridine-4-carboxylic acid

Systemtic Name: 2-[[2-fluoranyl-4-(3-fluoranyl-2-methoxycarbonyl-phenyl)phenyl]methylamino]pyridine-4-carboxylic acid Openeye Name: 2-[[2-fluoro-4-(3-fluoro-2-methoxycarbonyl-phenyl)phenyl]methylamino]pyridine-4-carboxylic acid CAS Name: 2-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylamino]-4-pyridinecarboxylic acid IUPAC Name: 2-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylamino]pyridine-4-carboxylic acid Traditional Name: 2-[[4-(2-carbomethoxy-3-fluoro-phenyl)-2-fluoro-benzyl]amino]isonicotinic acid Formula: C21H16F2N2O4 MolecularWeight: 398.359546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC3=NC=CC(=C3)C(=O)O)F

Isomeric SMILES

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC3=NC=CC(=C3)C(=O)O)F

InChI

InChI=1S/C21H16F2N2O4/c1-29-21(28)19-15(3-2-4-16(19)22)12-5-6-14(17(23)9-12)11-25-18-10-13(20(26)27)7-8-24-18/h2-10H,11H2,1H3,(H,24,25)(H,26,27)