ethyl 3-aminocarbonyl-5-[2-[3-[bis(azanyl)methylideneamino]phenoxy]-6-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)pyridin-4-yl]oxy-benzoate

Systemtic Name: ethyl 3-aminocarbonyl-5-[2-[3-[bis(azanyl)methylideneamino]phenoxy]-6-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)pyridin-4-yl]oxy-benzoate Openeye Name: ethyl 3-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-(3-guanidinophenoxy)-4-pyridyl]oxy]-5-carbamoyl-benzoate CAS Name: 3-[[2-(2-carbamimidoylphenoxy)-6-[3-(diaminomethylideneamino)phenoxy]-3,5-difluoro-4-pyridinyl]oxy]-5-carbamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-carbamimidoylphenoxy)-6-[3-(diaminomethylideneamino)phenoxy]-3,5-difluoropyridin-4-yl]oxy-5-carbamoylbenzoate Traditional Name: 3-[[2-(2-amidinophenoxy)-3,5-difluoro-6-(3-guanidinophenoxy)-4-pyridyl]oxy]-5-carbamoyl-benzoic acid ethyl ester Formula: C29H25F2N7O6 MolecularWeight: 605.548906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25F2N7O6/c1-2-41-28(40)15-10-14(25(34)39)11-18(12-15)42-23-21(30)26(43-17-7-5-6-16(13-17)37-29(35)36)38-27(22(23)31)44-20-9-4-3-8-19(20)24(32)33/h3-13H,2H2,1H3,(H3,32,33)(H2,34,39)(H4,35,36,37)