ethyl 2-[4-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]piperazin-1-yl]-2-methyl-propanoate

Systemtic Name: ethyl 2-[4-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]piperazin-1-yl]-2-methyl-propanoate Openeye Name: ethyl 2-[4-[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]piperazin-1-yl]-2-methyl-propanoate CAS Name: 2-[4-[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]-1-piperazinyl]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]piperazin-1-yl]-2-methylpropanoate Traditional Name: 2-[4-[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-4-pyridyl]piperazino]-2-methyl-propionic acid ethyl ester Formula: C32H37F2N7O4 MolecularWeight: 621.677486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)N1CCN(CC1)C2=C(C(=NC(=C2F)OC3=CC=CC=C3C(=N)N)OC4=CC=CC(=C4)C5=NCCN5C)F

Isomeric SMILES

CCOC(=O)C(C)(C)N1CCN(CC1)C2=C(C(=NC(=C2F)OC3=CC=CC=C3C(=N)N)OC4=CC=CC(=C4)C5=NCCN5C)F

InChI

InChI=1S/C32H37F2N7O4/c1-5-43-31(42)32(2,3)41-17-15-40(16-18-41)26-24(33)29(44-21-10-8-9-20(19-21)28-37-13-14-39(28)4)38-30(25(26)34)45-23-12-7-6-11-22(23)27(35)36/h6-12,19H,5,13-18H2,1-4H3,(H3,35,36)