5-[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[3.2.1]octane-3-carboxylic acid

Systemtic Name: 5-[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[3.2.1]octane-3-carboxylic acid Openeye Name: 5-[[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]bicyclo[3.2.1]octane-3-carboxylic acid CAS Name: 5-[[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]-3-bicyclo[3.2.1]octanecarboxylic acid IUPAC Name: 5-[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[3.2.1]octane-3-carboxylic acid Traditional Name: 5-[[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]bicyclo[3.2.1]octane-3-carboxylic acid 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)CC(C5)C(=O)O)F)OC6=CC(=C(N)N)C=CC6=O

Isomeric SMILES

CN1C=CNC1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)OC45CCC(C4)CC(C5)C(=O)O)F)OC6=CC(=C(N)N)C=CC6=O

InChI

InChI=1S/C31H31F2N5O6/c1-38-10-9-36-27(38)18-3-2-4-20(12-18)42-28-23(32)25(44-31-8-7-16(14-31)11-19(15-31)30(40)41)24(33)29(37-28)43-22-13-17(26(34)35)5-6-21(22)39/h2-6,9-10,12-13,16,19,27,36H,7-8,11,14-15,34-35H2,1H3,(H,40,41)