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

Systemtic Name: ethyl 3-[3-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methylimidazol-2-yl)phenoxy]pyridin-4-yl]oxyphenyl]propanoate Openeye Name: ethyl 3-[3-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridyl]oxy]phenyl]propanoate CAS Name: 3-[3-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolyl)phenoxy]-4-pyridinyl]oxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]pyridin-4-yl]oxyphenyl]propanoate Traditional Name: 3-[3-[[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridyl]oxy]phenyl]propionic acid ethyl ester Formula: C33H29F2N5O5 MolecularWeight: 613.610666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC=C1)OC2=C(C(=NC(=C2F)OC3=CC=CC=C3C(=N)N)OC4=CC=CC(=C4)C5=NC=CN5C)F

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC=C1)OC2=C(C(=NC(=C2F)OC3=CC=CC=C3C(=N)N)OC4=CC=CC(=C4)C5=NC=CN5C)F

InChI

InChI=1S/C33H29F2N5O5/c1-3-42-26(41)15-14-20-8-6-10-22(18-20)43-29-27(34)32(44-23-11-7-9-21(19-23)31-38-16-17-40(31)2)39-33(28(29)35)45-25-13-5-4-12-24(25)30(36)37/h4-13,16-19H,3,14-15H2,1-2H3,(H3,36,37)