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

Systemtic Name: ethyl 4-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methylimidazol-2-yl)phenoxy]pyridin-4-yl]oxybenzoate Openeye Name: ethyl 4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridyl]oxy]benzoate CAS Name: 4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolyl)phenoxy]-4-pyridinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]pyridin-4-yl]oxybenzoate Traditional Name: 4-[[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridyl]oxy]benzoic acid ethyl ester Formula: C31H25F2N5O5 MolecularWeight: 585.557506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H25F2N5O5/c1-3-40-31(39)18-11-13-20(14-12-18)41-26-24(32)29(42-21-8-6-7-19(17-21)28-36-15-16-38(28)2)37-30(25(26)33)43-23-10-5-4-9-22(23)27(34)35/h4-17H,3H2,1-2H3,(H3,34,35)