[4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-8-methyl-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]-8-methyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-4-quinolinecarboxylic acid [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] 2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 2-[4-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C35H28ClFN2O5 MolecularWeight: 611.058623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)N5C(=O)C6CC=CCC6C5=O

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)N5C(=O)C6CC=CCC6C5=O

InChI

InChI=1S/C35H28ClFN2O5/c1-20-5-4-8-25-28(35(43)44-30(17-18-36)32(40)22-9-13-23(37)14-10-22)19-29(38-31(20)25)21-11-15-24(16-12-21)39-33(41)26-6-2-3-7-27(26)34(39)42/h2-5,8-16,19,26-27,30H,6-7,17-18H2,1H3