[1-oxidanylidene-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-oxo-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-keto-1-methyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl] ester Formula: C33H30N2O4 MolecularWeight: 518.6023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)N4C5=C(CCCC5)C6=CC=CC=C64

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)N4C5=C(CCCC5)C6=CC=CC=C64

InChI

InChI=1S/C33H30N2O4/c1-20-16-18-22(19-17-20)29-25-12-4-5-13-26(25)32(37)34(3)30(29)33(38)39-21(2)31(36)35-27-14-8-6-10-23(27)24-11-7-9-15-28(24)35/h4-6,8,10,12-14,16-19,21H,7,9,11,15H2,1-3H3