[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-[4-[5,6-bis(bromanyl)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-[4-[5,6-bis(bromanyl)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 6-bromo-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-ethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-ethyl-4-quinolinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 6-bromo-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-ethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-[4-(5,6-dibromo-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-ethyl-cinchoninic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C34H26Br3FN2O5 MolecularWeight: 801.291043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CC(C(CC5C4=O)Br)Br)C(=O)OCC(=O)C6=CC=C(C=C6)F

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CC(C(CC5C4=O)Br)Br)C(=O)OCC(=O)C6=CC=C(C=C6)F

InChI

InChI=1S/C34H26Br3FN2O5/c1-2-17-11-20(35)12-23-26(34(44)45-16-30(41)19-3-7-21(38)8-4-19)15-29(39-31(17)23)18-5-9-22(10-6-18)40-32(42)24-13-27(36)28(37)14-25(24)33(40)43/h3-12,15,24-25,27-28H,2,13-14,16H2,1H3