[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-8-chloranyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-8-chloranyl-quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 8-chloro-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 8-chloro-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 8-chloro-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 8-chloro-2-[4-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]cinchoninic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C32H22Cl2N2O5 MolecularWeight: 585.43348

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=CC=C5Cl)C(=C4)C(=O)OCC(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=CC=C5Cl)C(=C4)C(=O)OCC(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C32H22Cl2N2O5/c33-20-12-8-19(9-13-20)28(37)17-41-32(40)25-16-27(35-29-22(25)6-3-7-26(29)34)18-10-14-21(15-11-18)36-30(38)23-4-1-2-5-24(23)31(36)39/h1-3,6-16,23-24H,4-5,17H2