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

Systemtic Name: (3-cyanophenyl)methyl 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (3-cyanophenyl)methyl 2-isopentyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-isoamyl-1,3-diketo-isoindoline-5-carboxylic acid (3-cyanobenzyl) ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H20N2O4/c1-14(2)8-9-24-20(25)18-7-6-17(11-19(18)21(24)26)22(27)28-13-16-5-3-4-15(10-16)12-23/h3-7,10-11,14H,8-9,13H2,1-2H3