(4-ethanoylphenyl) 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-ethanoylphenyl) 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-acetylphenyl) 2-isopentyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-isoamyl-1,3-diketo-isoindoline-5-carboxylic acid (4-acetylphenyl) ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H21NO5/c1-13(2)10-11-23-20(25)18-9-6-16(12-19(18)21(23)26)22(27)28-17-7-4-15(5-8-17)14(3)24/h4-9,12-13H,10-11H2,1-3H3