methyl 4-[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-3,5-bis(fluoranyl)-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxybicyclo[2.2.1]heptane-1-carboxylate

Systemtic Name: methyl 4-[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-3,5-bis(fluoranyl)-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxybicyclo[2.2.1]heptane-1-carboxylate Openeye Name: methyl 4-[[2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]oxy]norbornane-1-carboxylate CAS Name: 4-[[2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]-3,5-difluoro-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]oxy]-1-bicyclo[2.2.1]heptanecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[3-(3-methyl-1,2-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]oxybicyclo[2.2.1]heptane-1-carboxylate Traditional Name: 4-[[2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[3-(1-methyl-4-imidazolin-2-yl)phenoxy]-4-pyridyl]oxy]norbornane-1-carboxylic acid methyl ester Formula: C31H31F2N5O6 MolecularWeight: 607.604546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CNC1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)OC45CCC(C4)(CC5)C(=O)OC)F)OC6=CC(=C(N)N)C=CC6=O

Isomeric SMILES

CN1C=CNC1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)OC45CCC(C4)(CC5)C(=O)OC)F)OC6=CC(=C(N)N)C=CC6=O

InChI

InChI=1S/C31H31F2N5O6/c1-38-13-12-36-26(38)18-4-3-5-19(14-18)42-27-22(32)24(44-31-10-8-30(16-31,9-11-31)29(40)41-2)23(33)28(37-27)43-21-15-17(25(34)35)6-7-20(21)39/h3-7,12-15,26,36H,8-11,16,34-35H2,1-2H3