2-[4-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxypiperidin-1-yl]-2-methyl-propanoic 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]oxypiperidin-1-yl]-2-methyl-propanoic acid Openeye Name: 2-[4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]oxy]-1-piperidyl]-2-methyl-propanoic acid CAS Name: 2-[4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]oxy]-1-piperidinyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxypiperidin-1-yl]-2-methylpropanoic acid Traditional Name: 2-[4-[[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-4-pyridyl]oxy]piperidino]-2-methyl-propionic acid Formula: C31H34F2N6O5 MolecularWeight: 608.635666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)N1CCC(CC1)OC2=C(C(=NC(=C2F)OC3=CC=CC=C3C(=N)N)OC4=CC=CC(=C4)C5=NCCN5C)F

Isomeric SMILES

CC(C)(C(=O)O)N1CCC(CC1)OC2=C(C(=NC(=C2F)OC3=CC=CC=C3C(=N)N)OC4=CC=CC(=C4)C5=NCCN5C)F

InChI

InChI=1S/C31H34F2N6O5/c1-31(2,30(40)41)39-14-11-19(12-15-39)42-25-23(32)28(43-20-8-6-7-18(17-20)27-36-13-16-38(27)3)37-29(24(25)33)44-22-10-5-4-9-21(22)26(34)35/h4-10,17,19H,11-16H2,1-3H3,(H3,34,35)(H,40,41)