[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C27H24N2O5/c1-17-7-6-10-23(18(17)2)28-24(30)16-34-27(33)20-11-12-21-22(15-20)26(32)29(25(21)31)14-13-19-8-4-3-5-9-19/h3-12,15H,13-14,16H2,1-2H3,(H,28,30)