phenacyl 1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: phenacyl 1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: phenacyl 1-(5-chloro-2,4-dimethoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-5-keto-pyrrolidine-3-carboxylic acid phenacyl ester Formula: C21H20ClNO6 MolecularWeight: 417.8396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)OCC(=O)C3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)OCC(=O)C3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C21H20ClNO6/c1-27-18-10-19(28-2)16(9-15(18)22)23-11-14(8-20(23)25)21(26)29-12-17(24)13-6-4-3-5-7-13/h3-7,9-10,14H,8,11-12H2,1-2H3