(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylpentanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate Traditional Name: 4-methyl-2-phthalimido-valeric 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)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O)C)C(C)(C)C

InChI

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