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

Systemtic Name: (5S)-4-[(3-fluoranyl-4-methoxy-phenyl)-oxidanyl-methylidene]-1-(3-methoxypropyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (5S)-4-[(3-fluoro-4-methoxy-phenyl)-hydroxy-methylene]-1-(3-methoxypropyl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (5S)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-methoxypropyl)-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (5S)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-methoxypropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (5S)-4-[(3-fluoro-4-methoxy-phenyl)-hydroxy-methylene]-1-(3-methoxypropyl)-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C21H21FN2O5 MolecularWeight: 400.400243

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(C(=C(C2=CC(=C(C=C2)OC)F)O)C(=O)C1=O)C3=CN=CC=C3

Isomeric SMILES

COCCCN1[C@H](C(=C(C2=CC(=C(C=C2)OC)F)O)C(=O)C1=O)C3=CN=CC=C3

InChI

InChI=1S/C21H21FN2O5/c1-28-10-4-9-24-18(14-5-3-8-23-12-14)17(20(26)21(24)27)19(25)13-6-7-16(29-2)15(22)11-13/h3,5-8,11-12,18,25H,4,9-10H2,1-2H3/t18-/m0/s1