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

Systemtic Name: 2-[4-[[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]-methyl-amino]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]-methyl-amino]-1-piperidyl]acetic acid CAS Name: 2-[4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]-methylamino]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]-methylamino]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-4-pyridyl]-methyl-amino]piperidino]acetic acid Formula: C30H33F2N7O4 MolecularWeight: 593.624326

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)N(C)C4CCN(CC4)CC(=O)O)F)OC5=CC=CC=C5C(=N)N

Isomeric SMILES

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)N(C)C4CCN(CC4)CC(=O)O)F)OC5=CC=CC=C5C(=N)N

InChI

InChI=1S/C30H33F2N7O4/c1-37-15-12-35-28(37)18-6-5-7-20(16-18)42-29-24(31)26(38(2)19-10-13-39(14-11-19)17-23(40)41)25(32)30(36-29)43-22-9-4-3-8-21(22)27(33)34/h3-9,16,19H,10-15,17H2,1-2H3,(H3,33,34)(H,40,41)