[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 2-methyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-methyl-1,3-dioxo-5-isoindolecarboxylic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-methyl-isoindoline-5-carboxylic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C

InChI

InChI=1S/C22H21NO5/c1-4-13-6-7-14(5-2)17(10-13)19(24)12-28-22(27)15-8-9-16-18(11-15)21(26)23(3)20(16)25/h6-11H,4-5,12H2,1-3H3