(4E)-4-[oxidanyl-(3-propoxyphenyl)methylidene]-1-phenethyl-5-pyridin-4-yl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[oxidanyl-(3-propoxyphenyl)methylidene]-1-phenethyl-5-pyridin-4-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[hydroxy-(3-propoxyphenyl)methylene]-1-phenethyl-5-(4-pyridyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[hydroxy-(3-propoxyphenyl)methylidene]-1-phenethyl-5-pyridin-4-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[hydroxy-(3-propoxyphenyl)methylidene]-1-phenethyl-5-pyridin-4-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[hydroxy-(3-propoxyphenyl)methylene]-1-phenethyl-5-(4-pyridyl)pyrrolidine-2,3-quinone Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=NC=C4)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=NC=C4)/O

InChI

InChI=1S/C27H26N2O4/c1-2-17-33-22-10-6-9-21(18-22)25(30)23-24(20-11-14-28-15-12-20)29(27(32)26(23)31)16-13-19-7-4-3-5-8-19/h3-12,14-15,18,24,30H,2,13,16-17H2,1H3/b25-23+