1,3-benzodioxol-5-ylmethyl 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-isopentyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-isoamyl-1,3-diketo-isoindoline-5-carboxylic acid piperonyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21NO6/c1-13(2)7-8-23-20(24)16-5-4-15(10-17(16)21(23)25)22(26)27-11-14-3-6-18-19(9-14)29-12-28-18/h3-6,9-10,13H,7-8,11-12H2,1-2H3