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

Systemtic Name: 3-methylbutyl 2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: isopentyl 2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(o-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=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCC(C)C

InChI

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