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

Systemtic Name: (5S)-4-[(2-methyl-4-phenylmethoxy-phenyl)-oxidanyl-methylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: (5S)-4-[(4-benzyloxy-2-methyl-phenyl)-hydroxy-methylene]-5-(4-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione CAS Name: (5S)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-pyridin-4-yl-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione IUPAC Name: (5S)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: (5S)-4-[(4-benzoxy-2-methyl-phenyl)-hydroxy-methylene]-5-(4-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-quinone Formula: C30H25N3O4 MolecularWeight: 491.5372

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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=NC=C5)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3[C@@H](N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=NC=C5)O

InChI

InChI=1S/C30H25N3O4/c1-20-16-24(37-19-21-6-3-2-4-7-21)9-10-25(20)28(34)26-27(23-11-14-31-15-12-23)33(30(36)29(26)35)18-22-8-5-13-32-17-22/h2-17,27,34H,18-19H2,1H3/t27-/m0/s1