[4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-6-chloranyl-quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-6-chloranyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 6-chloro-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-chloro-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] 6-chloro-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-chloro-2-[4-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]cinchoninic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C34H25Cl2FN2O5 MolecularWeight: 631.477103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Cl)C(=C4)C(=O)OC(CCCl)C(=O)C6=CC=C(C=C6)F

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Cl)C(=C4)C(=O)OC(CCCl)C(=O)C6=CC=C(C=C6)F

InChI

InChI=1S/C34H25Cl2FN2O5/c35-16-15-30(31(40)20-5-10-22(37)11-6-20)44-34(43)27-18-29(38-28-14-9-21(36)17-26(27)28)19-7-12-23(13-8-19)39-32(41)24-3-1-2-4-25(24)33(39)42/h1-2,5-14,17-18,24-25,30H,3-4,15-16H2