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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 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 (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 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 (1-cyanoindolizin-2-yl)methyl ester Formula: C23H20ClN3O5 MolecularWeight: 453.875

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)OCC3=CN4C=CC=CC4=C3C#N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)OCC3=CN4C=CC=CC4=C3C#N)Cl)OC

InChI

InChI=1S/C23H20ClN3O5/c1-30-20-9-21(31-2)19(8-17(20)24)27-12-14(7-22(27)28)23(29)32-13-15-11-26-6-4-3-5-18(26)16(15)10-25/h3-6,8-9,11,14H,7,12-13H2,1-2H3