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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)[C@H]2CC(=O)N(C2)C3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C21H20ClNO6/c1-12(24)13-4-6-15(7-5-13)29-21(26)14-8-20(25)23(11-14)17-9-16(22)18(27-2)10-19(17)28-3/h4-7,9-10,14H,8,11H2,1-3H3/t14-/m0/s1