(3-methylphenyl)methyl 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4/c1-14(2)9-10-23-20(24)18-8-7-17(12-19(18)21(23)25)22(26)27-13-16-6-4-5-15(3)11-16/h4-8,11-12,14H,9-10,13H2,1-3H3