[1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-8-chloranyl-quinoline-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-8-chloranyl-quinoline-4-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-1-methyl-2-oxo-ethyl] 8-chloro-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 8-chloro-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] 8-chloro-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 8-chloro-2-[4-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]cinchoninic acid [2-(4-benzoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C40H33ClN2O6 MolecularWeight: 673.15282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=C(C=C5)N6C(=O)C7CCCCC7C6=O

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=C(C=C5)N6C(=O)C7CCCCC7C6=O

InChI

InChI=1S/C40H33ClN2O6/c1-24(37(44)27-16-20-29(21-17-27)48-23-25-8-3-2-4-9-25)49-40(47)33-22-35(42-36-30(33)12-7-13-34(36)41)26-14-18-28(19-15-26)43-38(45)31-10-5-6-11-32(31)39(43)46/h2-4,7-9,12-22,24,31-32H,5-6,10-11,23H2,1H3