3-methylbutyl 2-(3-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 3-methylbutyl 2-(3-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: isopentyl 2-(m-tolyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(3-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(m-tolyl)isoindoline-5-carboxylic acid isoamyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCC(C)C

InChI

InChI=1S/C21H21NO4/c1-13(2)9-10-26-21(25)15-7-8-17-18(12-15)20(24)22(19(17)23)16-6-4-5-14(3)11-16/h4-8,11-13H,9-10H2,1-3H3