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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-benzyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-benzyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-benzyl-1,3-diketo-isoindoline-5-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C29H29NO4 MolecularWeight: 455.54486

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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)CC4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C29H29NO4/c1-18-13-22(29(3,4)5)14-19(2)25(18)17-34-28(33)21-11-12-23-24(15-21)27(32)30(26(23)31)16-20-9-7-6-8-10-20/h6-15H,16-17H2,1-5H3