[(2S,4E)-4-(dimethylaminomethylidene)-5-oxidanylidene-1-(phenylcarbonyl)pyrrolidin-2-yl]methyl benzoate

Systemtic Name: [(2S,4E)-4-(dimethylaminomethylidene)-5-oxidanylidene-1-(phenylcarbonyl)pyrrolidin-2-yl]methyl benzoate Openeye Name: [(2S,4E)-1-benzoyl-4-(dimethylaminomethylene)-5-oxo-pyrrolidin-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4E)-1-benzoyl-4-(dimethylaminomethylidene)-5-oxo-2-pyrrolidinyl]methyl ester IUPAC Name: [(2S,4E)-1-benzoyl-4-(dimethylaminomethylidene)-5-oxopyrrolidin-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4E)-1-benzoyl-4-(dimethylaminomethylene)-5-keto-pyrrolidin-2-yl]methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C1CC(N(C1=O)C(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)/C=C/1\C[C@H](N(C1=O)C(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-23(2)14-18-13-19(15-28-22(27)17-11-7-4-8-12-17)24(21(18)26)20(25)16-9-5-3-6-10-16/h3-12,14,19H,13,15H2,1-2H3/b18-14+/t19-/m0/s1