[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(o-tolyl)isoindoline-5-carboxylic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C27H20N2O5 MolecularWeight: 452.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC(C)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC(C)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H20N2O5/c1-15-7-3-6-10-23(15)29-25(31)19-12-11-17(13-20(19)26(29)32)27(33)34-16(2)24(30)21-14-28-22-9-5-4-8-18(21)22/h3-14,16,28H,1-2H3