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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(2-diethylaminoethyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(2-diethylaminoethyl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(2-diethylaminoethyl)-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(CC)CC)C3=CN=CC=C3)/O

InChI

InChI=1S/C26H33N3O4/c1-4-7-16-33-21-12-8-10-19(17-21)24(30)22-23(20-11-9-13-27-18-20)29(26(32)25(22)31)15-14-28(5-2)6-3/h8-13,17-18,23,30H,4-7,14-16H2,1-3H3/b24-22+