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

Systemtic Name: (5S)-4-[(4-butoxy-3-methyl-phenyl)-oxidanyl-methylidene]-1-(3-methoxypropyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (5S)-4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-methoxypropyl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (5S)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-(3-methoxypropyl)-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (5S)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-(3-methoxypropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (5S)-4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-methoxypropyl)-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5/c1-4-5-14-32-20-10-9-18(15-17(20)2)23(28)21-22(19-8-6-11-26-16-19)27(12-7-13-31-3)25(30)24(21)29/h6,8-11,15-16,22,28H,4-5,7,12-14H2,1-3H3/t22-/m0/s1