ethyl 4-[3-[2-[bis(azanyl)methylideneamino]-3,5-bis(fluoranyl)phenoxy]-2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-pyridin-4-yl]oxy-3,5-dimethoxy-benzoate

Systemtic Name: ethyl 4-[3-[2-[bis(azanyl)methylideneamino]-3,5-bis(fluoranyl)phenoxy]-2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-pyridin-4-yl]oxy-3,5-dimethoxy-benzoate Openeye Name: ethyl 4-[[2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]oxy-3-(3,5-difluoro-2-guanidino-phenoxy)-4-pyridyl]oxy]-3,5-dimethoxy-benzoate CAS Name: 4-[[3-[2-(diaminomethylideneamino)-3,5-difluorophenoxy]-2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]-4-pyridinyl]oxy]-3,5-dimethoxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(diaminomethylideneamino)-3,5-difluorophenoxy]-2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxypyridin-4-yl]oxy-3,5-dimethoxybenzoate Traditional Name: 4-[[2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]oxy-3-(3,5-difluoro-2-guanidino-phenoxy)-4-pyridyl]oxy]-3,5-dimethoxy-benzoic acid ethyl ester Formula: C30H28F2N6O8 MolecularWeight: 638.575526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)OC)OC2=C(C(=NC=C2)OC3=CC(=C(N)N)C=CC3=O)OC4=CC(=CC(=C4N=C(N)N)F)F)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)OC)OC2=C(C(=NC=C2)OC3=CC(=C(N)N)C=CC3=O)OC4=CC(=CC(=C4N=C(N)N)F)F)OC

InChI

InChI=1S/C30H28F2N6O8/c1-4-43-29(40)15-10-22(41-2)25(23(11-15)42-3)44-19-7-8-37-28(46-20-9-14(27(33)34)5-6-18(20)39)26(19)45-21-13-16(31)12-17(32)24(21)38-30(35)36/h5-13H,4,33-34H2,1-3H3,(H4,35,36,38)