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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C25H27NO4 MolecularWeight: 405.48618

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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)CC=C)C)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO4/c1-7-10-26-22(27)19-9-8-17(13-20(19)23(26)28)24(29)30-14-21-15(2)11-18(12-16(21)3)25(4,5)6/h7-9,11-13H,1,10,14H2,2-6H3