(1-oxidanylidene-1-phenyl-propan-2-yl) 6-methyl-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-propan-2-yl) 6-methyl-2-[4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 6-methyl-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-methyl-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 6-methyl-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]-6-methyl-cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C35H32N2O5 MolecularWeight: 560.63898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)C)C(=C4)C(=O)OC(C)C(=O)C6=CC=CC=C6

Isomeric SMILES

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)C)C(=C4)C(=O)OC(C)C(=O)C6=CC=CC=C6

InChI

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