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

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-[4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 2-[4-(1,3-diketo-5-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]cinchoninic acid 1-benzoylpropyl ester Formula: C35H32N2O5 MolecularWeight: 560.63898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C(=O)C6CCC(CC6C5=O)C

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C(=O)C6CCC(CC6C5=O)C

InChI

InChI=1S/C35H32N2O5/c1-3-31(32(38)23-9-5-4-6-10-23)42-35(41)28-20-30(36-29-12-8-7-11-25(28)29)22-14-16-24(17-15-22)37-33(39)26-18-13-21(2)19-27(26)34(37)40/h4-12,14-17,20-21,26-27,31H,3,13,18-19H2,1-2H3