(5S)-5-(1,3-benzodioxol-5-yl)-1-hexyl-4-[(4-methylphenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione

Systemtic Name: (5S)-5-(1,3-benzodioxol-5-yl)-1-hexyl-4-[(4-methylphenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (5S)-5-(1,3-benzodioxol-5-yl)-1-hexyl-4-[hydroxy(p-tolyl)methylene]pyrrolidine-2,3-dione CAS Name: (5S)-5-(1,3-benzodioxol-5-yl)-1-hexyl-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (5S)-5-(1,3-benzodioxol-5-yl)-1-hexyl-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione Traditional Name: (5S)-5-(1,3-benzodioxol-5-yl)-1-hexyl-4-[hydroxy(p-tolyl)methylene]pyrrolidine-2,3-quinone Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(C(=C(C2=CC=C(C=C2)C)O)C(=O)C1=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCN1[C@H](C(=C(C2=CC=C(C=C2)C)O)C(=O)C1=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H27NO5/c1-3-4-5-6-13-26-22(18-11-12-19-20(14-18)31-15-30-19)21(24(28)25(26)29)23(27)17-9-7-16(2)8-10-17/h7-12,14,22,27H,3-6,13,15H2,1-2H3/t22-/m0/s1