(5S)-4-[(4-butoxy-3-methyl-phenyl)-oxidanyl-methylidene]-5-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: (5S)-4-[(4-butoxy-3-methyl-phenyl)-oxidanyl-methylidene]-5-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: (5S)-4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-5-phenyl-1-(3-pyridylmethyl)pyrrolidine-2,3-dione CAS Name: (5S)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-5-phenyl-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione IUPAC Name: (5S)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-5-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: (5S)-4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-5-phenyl-1-(3-pyridylmethyl)pyrrolidine-2,3-quinone Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC=C4)O)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=C2[C@@H](N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC=C4)O)C

InChI

InChI=1S/C28H28N2O4/c1-3-4-15-34-23-13-12-22(16-19(23)2)26(31)24-25(21-10-6-5-7-11-21)30(28(33)27(24)32)18-20-9-8-14-29-17-20/h5-14,16-17,25,31H,3-4,15,18H2,1-2H3/t25-/m0/s1