2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[2,2,2-tris(fluoranyl)ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[2,2,2-tris(fluoranyl)ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-(2,2,2-trifluoroethylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[oxo-(2,2,2-trifluoroethylamino)methyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-(2,2,2-trifluoroethylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-(2,2,2-trifluoroethylcarbamoyl)benzoic acid Formula: C24H20F3N5O5 MolecularWeight: 515.44131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(F)(F)F)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(F)(F)F)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H20F3N5O5/c1-37-18-9-8-16(19(32-18)22(34)31-14-5-2-12(3-6-14)20(28)29)15-7-4-13(10-17(15)23(35)36)21(33)30-11-24(25,26)27/h2-10H,11H2,1H3,(H3,28,29)(H,30,33)(H,31,34)(H,35,36)