(2-chloranyl-4-fluoranyl-phenyl) 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl) 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-chloro-4-fluoro-phenyl) 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxylic acid (2-chloro-4-fluorophenyl) ester IUPAC Name: (2-chloro-4-fluorophenyl) 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-homoveratryl-5-keto-pyrrolidine-3-carboxylic acid (2-chloro-4-fluoro-phenyl) ester Formula: C21H21ClFNO5 MolecularWeight: 421.846543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)OC3=C(C=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)OC3=C(C=C(C=C3)F)Cl)OC

InChI

InChI=1S/C21H21ClFNO5/c1-27-18-5-3-13(9-19(18)28-2)7-8-24-12-14(10-20(24)25)21(26)29-17-6-4-15(23)11-16(17)22/h3-6,9,11,14H,7-8,10,12H2,1-2H3