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

Systemtic Name: ethyl 3-[2-[3-[bis(azanyl)methylideneamino]phenoxy]-6-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)pyridin-4-yl]oxybenzoate Openeye Name: ethyl 3-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-(3-guanidinophenoxy)-4-pyridyl]oxy]benzoate CAS Name: 3-[[2-(2-carbamimidoylphenoxy)-6-[3-(diaminomethylideneamino)phenoxy]-3,5-difluoro-4-pyridinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-carbamimidoylphenoxy)-6-[3-(diaminomethylideneamino)phenoxy]-3,5-difluoropyridin-4-yl]oxybenzoate Traditional Name: 3-[[2-(2-amidinophenoxy)-3,5-difluoro-6-(3-guanidinophenoxy)-4-pyridyl]oxy]benzoic acid ethyl ester Formula: C28H24F2N6O5 MolecularWeight: 562.524166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H24F2N6O5/c1-2-38-27(37)15-7-5-9-17(13-15)39-23-21(29)25(40-18-10-6-8-16(14-18)35-28(33)34)36-26(22(23)30)41-20-12-4-3-11-19(20)24(31)32/h3-14H,2H2,1H3,(H3,31,32)(H4,33,34,35)