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

Systemtic Name: (5S)-4-[oxidanyl-(4-propoxyphenyl)methylidene]-1-phenethyl-5-pyridin-4-yl-pyrrolidine-2,3-dione Openeye Name: (5S)-4-[hydroxy-(4-propoxyphenyl)methylene]-1-phenethyl-5-(4-pyridyl)pyrrolidine-2,3-dione CAS Name: (5S)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-phenethyl-5-pyridin-4-ylpyrrolidine-2,3-dione IUPAC Name: (5S)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-phenethyl-5-pyridin-4-ylpyrrolidine-2,3-dione Traditional Name: (5S)-4-[hydroxy-(4-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=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=NC=C4)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=C2[C@@H](N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=NC=C4)O

InChI

InChI=1S/C27H26N2O4/c1-2-18-33-22-10-8-21(9-11-22)25(30)23-24(20-12-15-28-16-13-20)29(27(32)26(23)31)17-14-19-6-4-3-5-7-19/h3-13,15-16,24,30H,2,14,17-18H2,1H3/t24-/m0/s1