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

Systemtic Name: (4E)-5-(3-bromophenyl)-4-[(2-methyl-4-phenylmethoxy-phenyl)-oxidanyl-methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(4-benzyloxy-2-methyl-phenyl)-hydroxy-methylene]-5-(3-bromophenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-bromophenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-bromophenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(4-benzoxy-2-methyl-phenyl)-hydroxy-methylene]-5-(3-bromophenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-quinone Formula: C31H25BrN2O4 MolecularWeight: 569.4452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC(=CC=C5)Br)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC(=CC=C5)Br)/O

InChI

InChI=1S/C31H25BrN2O4/c1-20-15-25(38-19-21-7-3-2-4-8-21)12-13-26(20)29(35)27-28(23-10-5-11-24(32)16-23)34(31(37)30(27)36)18-22-9-6-14-33-17-22/h2-17,28,35H,18-19H2,1H3/b29-27+