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

Systemtic Name: 3-cyanopropyl 1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 3-cyanopropyl 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 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 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 3-cyanopropyl ester Formula: C17H19ClN2O5 MolecularWeight: 366.79616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O5/c1-23-14-9-15(24-2)13(8-12(14)18)20-10-11(7-16(20)21)17(22)25-6-4-3-5-19/h8-9,11H,3-4,6-7,10H2,1-2H3