(3,4-dimethylphenyl) 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (3,4-dimethylphenyl) 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (3,4-dimethylphenyl) 2-isopentyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-isoamyl-1,3-diketo-isoindoline-5-carboxylic acid (3,4-dimethylphenyl) ester Formula: C22H23NO4 MolecularWeight: 365.42232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C)C

InChI

InChI=1S/C22H23NO4/c1-13(2)9-10-23-20(24)18-8-6-16(12-19(18)21(23)25)22(26)27-17-7-5-14(3)15(4)11-17/h5-8,11-13H,9-10H2,1-4H3