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

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-methyl-quinoline-4-carboxylate Openeye Name: 1-benzoylbutyl 2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-6-methyl-quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-6-methyl-4-quinolinecarboxylic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-6-methylquinoline-4-carboxylate Traditional Name: 2-[4-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-6-methyl-cinchoninic acid 1-benzoylbutyl ester Formula: C36H34N2O5 MolecularWeight: 574.66556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)N5C(=O)C6CCCCC6C5=O

Isomeric SMILES

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)N5C(=O)C6CCCCC6C5=O

InChI

InChI=1S/C36H34N2O5/c1-3-9-32(33(39)24-10-5-4-6-11-24)43-36(42)29-21-31(37-30-19-14-22(2)20-28(29)30)23-15-17-25(18-16-23)38-34(40)26-12-7-8-13-27(26)35(38)41/h4-6,10-11,14-21,26-27,32H,3,7-9,12-13H2,1-2H3