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

Systemtic Name: (5S)-4-[(4-butoxy-2-methyl-phenyl)-oxidanyl-methylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: (5S)-4-[(4-butoxy-2-methyl-phenyl)-hydroxy-methylene]-5-(4-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione CAS Name: (5S)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-5-pyridin-4-yl-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione IUPAC Name: (5S)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: (5S)-4-[(4-butoxy-2-methyl-phenyl)-hydroxy-methylene]-5-(4-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-quinone Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4/c1-3-4-14-34-21-7-8-22(18(2)15-21)25(31)23-24(20-9-12-28-13-10-20)30(27(33)26(23)32)17-19-6-5-11-29-16-19/h5-13,15-16,24,31H,3-4,14,17H2,1-2H3/t24-/m0/s1