2-[4-methyl-1-(4-methylphenyl)-1-oxidanylidene-pentan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[4-methyl-1-(4-methylphenyl)-1-oxidanylidene-pentan-2-yl]isoindole-1,3-dione Openeye Name: 2-[3-methyl-1-(4-methylbenzoyl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[4-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]isoindole-1,3-dione Traditional Name: 2-(3-methyl-1-p-toluoyl-butyl)isoindoline-1,3-quinone Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO3/c1-13(2)12-18(19(23)15-10-8-14(3)9-11-15)22-20(24)16-6-4-5-7-17(16)21(22)25/h4-11,13,18H,12H2,1-3H3