(5R)-4-[(4-butoxy-3-methyl-phenyl)-oxidanyl-methylidene]-1-(2-dimethylaminoethyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione

Systemtic Name: (5R)-4-[(4-butoxy-3-methyl-phenyl)-oxidanyl-methylidene]-1-(2-dimethylaminoethyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (5R)-4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (5R)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-(2-dimethylaminoethyl)-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (5R)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-(2-dimethylaminoethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (5R)-4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CN=CC=C3)O)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=C2[C@H](N(C(=O)C2=O)CCN(C)C)C3=CN=CC=C3)O)C

InChI

InChI=1S/C25H31N3O4/c1-5-6-14-32-20-10-9-18(15-17(20)2)23(29)21-22(19-8-7-11-26-16-19)28(13-12-27(3)4)25(31)24(21)30/h7-11,15-16,22,29H,5-6,12-14H2,1-4H3/t22-/m1/s1