(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-isopentyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-isoamyl-1,3-diketo-isoindoline-5-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C)C)C(C)(C)C

InChI

InChI=1S/C27H33NO4/c1-16(2)10-11-28-24(29)21-9-8-19(14-22(21)25(28)30)26(31)32-15-23-17(3)12-20(13-18(23)4)27(5,6)7/h8-9,12-14,16H,10-11,15H2,1-7H3