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

Systemtic Name: 2-[4-[[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methylimidazol-2-yl)phenoxy]pyridin-4-yl]amino]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridyl]amino]-1-piperidyl]acetic acid CAS Name: 2-[4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolyl)phenoxy]-4-pyridinyl]amino]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]pyridin-4-yl]amino]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridyl]amino]piperidino]acetic acid Formula: C29H29F2N7O4 MolecularWeight: 577.581866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)NC4CCN(CC4)CC(=O)O)F)OC5=CC=CC=C5C(=N)N

Isomeric SMILES

CN1C=CN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)NC4CCN(CC4)CC(=O)O)F)OC5=CC=CC=C5C(=N)N

InChI

InChI=1S/C29H29F2N7O4/c1-37-14-11-34-27(37)17-5-4-6-19(15-17)41-28-23(30)25(35-18-9-12-38(13-10-18)16-22(39)40)24(31)29(36-28)42-21-8-3-2-7-20(21)26(32)33/h2-8,11,14-15,18H,9-10,12-13,16H2,1H3,(H3,32,33)(H,35,36)(H,39,40)