2-[6-(3-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-4-(4-phenylbutan-2-ylamino)pyridin-2-yl]oxy-5-(2-methylpropylcarbamoyl)benzoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[6-(3-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-4-(4-phenylbutan-2-ylamino)pyridin-2-yl]oxy-5-(2-methylpropylcarbamoyl)benzoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-4-[(1-methyl-3-phenyl-propyl)amino]-2-pyridyl]oxy]-5-(isobutylcarbamoyl)benzoic acid; 2,2,2-trifluoroacetic acid CAS Name: 2-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-4-(4-phenylbutan-2-ylamino)-2-pyridinyl]oxy]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[6-(3-carbamimidoylphenoxy)-3,5-difluoro-4-(4-phenylbutan-2-ylamino)pyridin-2-yl]oxy-5-(2-methylpropylcarbamoyl)benzoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 2-[[6-(3-amidinophenoxy)-3,5-difluoro-4-[(1-methyl-3-phenyl-propyl)amino]-2-pyridyl]oxy]-5-(isobutylcarbamoyl)benzoic acid; 2,2,2-trifluoroacetic acid Formula: C36H36F5N5O7 MolecularWeight: 745.692356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)OC2=C(C(=C(C(=N2)OC3=CC=CC(=C3)C(=N)N)F)NC(C)CCC4=CC=CC=C4)F)C(=O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)OC2=C(C(=C(C(=N2)OC3=CC=CC(=C3)C(=N)N)F)NC(C)CCC4=CC=CC=C4)F)C(=O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C34H35F2N5O5.C2HF3O2/c1-19(2)18-39-31(42)23-14-15-26(25(17-23)34(43)44)46-33-28(36)29(40-20(3)12-13-21-8-5-4-6-9-21)27(35)32(41-33)45-24-11-7-10-22(16-24)30(37)38;3-2(4,5)1(6)7/h4-11,14-17,19-20H,12-13,18H2,1-3H3,(H3,37,38)(H,39,42)(H,40,41)(H,43,44);(H,6,7)