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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2CCC4=CC=CC=C4

InChI

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