(4E)-5-(3-bromophenyl)-4-[(4-butoxy-2-methyl-phenyl)-oxidanyl-methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(3-bromophenyl)-4-[(4-butoxy-2-methyl-phenyl)-oxidanyl-methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3-bromophenyl)-4-[(4-butoxy-2-methyl-phenyl)-hydroxy-methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-bromophenyl)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-bromophenyl)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3-bromophenyl)-4-[(4-butoxy-2-methyl-phenyl)-hydroxy-methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-quinone Formula: C28H27BrN2O4 MolecularWeight: 535.42898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)Br)O)C

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)Br)/O)C

InChI

InChI=1S/C28H27BrN2O4/c1-3-4-13-35-22-10-11-23(18(2)14-22)26(32)24-25(20-8-5-9-21(29)15-20)31(28(34)27(24)33)17-19-7-6-12-30-16-19/h5-12,14-16,25,32H,3-4,13,17H2,1-2H3/b26-24+