(4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(3-imidazol-1-ylpropyl)-5-phenyl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(3-imidazol-1-ylpropyl)-5-phenyl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(3-imidazol-1-ylpropyl)-5-phenyl-pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-[3-(1-imidazolyl)propyl]-5-phenylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(3-imidazol-1-ylpropyl)-5-phenyl-pyrrolidine-2,3-quinone Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CC=C4)/O

InChI

InChI=1S/C27H29N3O4/c1-2-3-17-34-22-12-7-11-21(18-22)25(31)23-24(20-9-5-4-6-10-20)30(27(33)26(23)32)15-8-14-29-16-13-28-19-29/h4-7,9-13,16,18-19,24,31H,2-3,8,14-15,17H2,1H3/b25-23+