(2-cyanophenyl)methyl (3S)-1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-cyanophenyl)methyl (3S)-1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-cyanophenyl)methyl (3S)-1-(5-chloro-2,4-dimethoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (3S)-1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(5-chloro-2,4-dimethoxy-phenyl)-5-keto-pyrrolidine-3-carboxylic acid (2-cyanobenzyl) ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)OCC3=CC=CC=C3C#N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1N2C[C@H](CC2=O)C(=O)OCC3=CC=CC=C3C#N)Cl)OC

InChI

InChI=1S/C21H19ClN2O5/c1-27-18-9-19(28-2)17(8-16(18)22)24-11-15(7-20(24)25)21(26)29-12-14-6-4-3-5-13(14)10-23/h3-6,8-9,15H,7,11-12H2,1-2H3/t15-/m0/s1