1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(m-tolylmethyl)pyrrolidine-2,5-dione CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione Traditional Name: 1-homopiperonyl-3-(3-methylbenzyl)pyrrolidine-2,5-quinone Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2CC(=O)N(C2=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)CC2CC(=O)N(C2=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO4/c1-14-3-2-4-16(9-14)10-17-12-20(23)22(21(17)24)8-7-15-5-6-18-19(11-15)26-13-25-18/h2-6,9,11,17H,7-8,10,12-13H2,1H3