1-cyclohexyl-2-[2-fluoranyl-4-[[4-fluoranyl-3-(2-oxidanyl-6-oxidanylidene-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-7-yl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[2-fluoranyl-4-[[4-fluoranyl-3-(2-oxidanyl-6-oxidanylidene-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-7-yl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[2-fluoro-4-[[4-fluoro-3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-7-yl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-fluoro-4-[[4-fluoro-3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-7-yl)phenyl]methoxy]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[2-fluoro-4-[[4-fluoro-3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-7-yl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[2-fluoro-4-[4-fluoro-3-(2-hydroxy-6-keto-2,3,4,10b-tetrahydro-1H-pyrid[2,1-a]isoindol-7-yl)benzyl]oxy-phenyl]benzimidazole-5-carboxylic acid Formula: C39H35F2N3O5 MolecularWeight: 663.709106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=C(C=C(C=C4)OCC5=CC(=C(C=C5)F)C6=C7C(=CC=C6)C8CC(CCN8C7=O)O)F

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=C(C=C(C=C4)OCC5=CC(=C(C=C5)F)C6=C7C(=CC=C6)C8CC(CCN8C7=O)O)F

InChI

InChI=1S/C39H35F2N3O5/c40-31-13-9-22(17-30(31)27-7-4-8-29-35-19-25(45)15-16-43(35)38(46)36(27)29)21-49-26-11-12-28(32(41)20-26)37-42-33-18-23(39(47)48)10-14-34(33)44(37)24-5-2-1-3-6-24/h4,7-14,17-18,20,24-25,35,45H,1-3,5-6,15-16,19,21H2,(H,47,48)