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

Systemtic Name: (5S)-1-(2-dimethylaminoethyl)-4-[(2-methyl-4-phenylmethoxy-phenyl)-oxidanyl-methylidene]-5-pyridin-4-yl-pyrrolidine-2,3-dione Openeye Name: (5S)-4-[(4-benzyloxy-2-methyl-phenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(4-pyridyl)pyrrolidine-2,3-dione CAS Name: (5S)-1-(2-dimethylaminoethyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione IUPAC Name: (5S)-1-(2-dimethylaminoethyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione Traditional Name: (5S)-4-[(4-benzoxy-2-methyl-phenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(4-pyridyl)pyrrolidine-2,3-quinone Formula: C28H29N3O4 MolecularWeight: 471.54756

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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)CCN(C)C)C4=CC=NC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O4/c1-19-17-22(35-18-20-7-5-4-6-8-20)9-10-23(19)26(32)24-25(21-11-13-29-14-12-21)31(16-15-30(2)3)28(34)27(24)33/h4-14,17,25,32H,15-16,18H2,1-3H3/t25-/m0/s1