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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 2-[4-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]cinchoninic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C32H25ClN2O5 MolecularWeight: 553.0043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)OCC(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)OCC(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C32H25ClN2O5/c33-21-13-9-20(10-14-21)29(36)18-40-32(39)26-17-28(34-27-8-4-3-5-23(26)27)19-11-15-22(16-12-19)35-30(37)24-6-1-2-7-25(24)31(35)38/h3-5,8-17,24-25H,1-2,6-7,18H2