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

Systemtic Name: (5S)-4-[(3-ethoxyphenyl)-oxidanyl-methylidene]-1-(2-methoxyethyl)-5-pyridin-4-yl-pyrrolidine-2,3-dione Openeye Name: (5S)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-1-(2-methoxyethyl)-5-(4-pyridyl)pyrrolidine-2,3-dione CAS Name: (5S)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-(2-methoxyethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione IUPAC Name: (5S)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-(2-methoxyethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione Traditional Name: (5S)-4-[hydroxy(m-phenetyl)methylene]-1-(2-methoxyethyl)-5-(4-pyridyl)pyrrolidine-2,3-quinone Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCOC)C3=CC=NC=C3)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=C2[C@@H](N(C(=O)C2=O)CCOC)C3=CC=NC=C3)O

InChI

InChI=1S/C21H22N2O5/c1-3-28-16-6-4-5-15(13-16)19(24)17-18(14-7-9-22-10-8-14)23(11-12-27-2)21(26)20(17)25/h4-10,13,18,24H,3,11-12H2,1-2H3/t18-/m0/s1