(2-chloranyl-6-fluoranyl-phenyl)methyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (3S)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H19ClFNO5 MolecularWeight: 407.819963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)OCC3=C(C=CC=C3Cl)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC3=C(C=CC=C3Cl)F)OC

InChI

InChI=1S/C20H19ClFNO5/c1-26-13-6-7-17(18(9-13)27-2)23-10-12(8-19(23)24)20(25)28-11-14-15(21)4-3-5-16(14)22/h3-7,9,12H,8,10-11H2,1-2H3/t12-/m0/s1