3-hexyl-4-methyl-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-hexyl-4-methyl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-hexyl-4-methyl-pyrrole-2,5-dione CAS Name: 3-hexyl-4-methyl-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-hexyl-4-methylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-hexyl-4-methyl-3-pyrroline-2,5-quinone Formula: C18H23NO2 MolecularWeight: 285.38072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=O)N(C1=O)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCC1=C(C(=O)N(C1=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H23NO2/c1-3-4-5-9-12-16-14(2)17(20)19(18(16)21)13-15-10-7-6-8-11-15/h6-8,10-11H,3-5,9,12-13H2,1-2H3