(4-cyanophenyl)methyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-cyanophenyl)methyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-cyanobenzyl) ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)OCC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C21H20N2O5/c1-26-17-7-8-18(19(10-17)27-2)23-12-16(9-20(23)24)21(25)28-13-15-5-3-14(11-22)4-6-15/h3-8,10,16H,9,12-13H2,1-2H3/t16-/m0/s1