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

Systemtic Name: (4E,5S)-1-(2-diethylaminoethyl)-4-[(2-methyl-4-phenylmethoxy-phenyl)-oxidanyl-methylidene]-5-pyridin-4-yl-pyrrolidine-2,3-dione Openeye Name: (4E,5S)-4-[(4-benzyloxy-2-methyl-phenyl)-hydroxy-methylene]-1-(2-diethylaminoethyl)-5-(4-pyridyl)pyrrolidine-2,3-dione CAS Name: (4E,5S)-1-(2-diethylaminoethyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione IUPAC Name: (4E,5S)-1-(2-diethylaminoethyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione Traditional Name: (4E,5S)-4-[(4-benzoxy-2-methyl-phenyl)-hydroxy-methylene]-1-(2-diethylaminoethyl)-5-(4-pyridyl)pyrrolidine-2,3-quinone Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(C(=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)O)C(=O)C1=O)C4=CC=NC=C4

Isomeric SMILES

CCN(CC)CCN1[C@H](/C(=C(/C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)\O)/C(=O)C1=O)C4=CC=NC=C4

InChI

InChI=1S/C30H33N3O4/c1-4-32(5-2)17-18-33-27(23-13-15-31-16-14-23)26(29(35)30(33)36)28(34)25-12-11-24(19-21(25)3)37-20-22-9-7-6-8-10-22/h6-16,19,27,34H,4-5,17-18,20H2,1-3H3/b28-26+/t27-/m0/s1