2-[[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methylimidazol-2-yl)phenoxy]pyridin-4-yl]-(2-dimethylaminoethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methylimidazol-2-yl)phenoxy]pyridin-4-yl]-(2-dimethylaminoethyl)amino]ethanoic acid Openeye Name: 2-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridyl]-(2-dimethylaminoethyl)amino]acetic acid CAS Name: 2-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolyl)phenoxy]-4-pyridinyl]-(2-dimethylaminoethyl)amino]acetic acid IUPAC Name: 2-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]pyridin-4-yl]-(2-dimethylaminoethyl)amino]acetic acid Traditional Name: 2-[[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridyl]-(2-dimethylaminoethyl)amino]acetic acid Formula: C28H29F2N7O4 MolecularWeight: 565.571166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)N(CCN(C)C)CC(=O)O)F)OC4=CC=CC=C4C(=N)N

Isomeric SMILES

CN1C=CN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)N(CCN(C)C)CC(=O)O)F)OC4=CC=CC=C4C(=N)N

InChI

InChI=1S/C28H29F2N7O4/c1-35(2)13-14-37(16-21(38)39)24-22(29)27(40-18-8-6-7-17(15-18)26-33-11-12-36(26)3)34-28(23(24)30)41-20-10-5-4-9-19(20)25(31)32/h4-12,15H,13-14,16H2,1-3H3,(H3,31,32)(H,38,39)