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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)Br)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(C)C)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)Br)/O

InChI

InChI=1S/C28H27BrN2O4/c1-17(2)16-35-22-10-11-23(18(3)13-22)26(32)24-25(20-6-8-21(29)9-7-20)31(28(34)27(24)33)15-19-5-4-12-30-14-19/h4-14,17,25,32H,15-16H2,1-3H3/b26-24+