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

Systemtic Name: (3,4-dimethylphenyl) (3S)-1-(5-chloranyl-2,4-dimethoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3,4-dimethylphenyl) (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 (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) (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 (3,4-dimethylphenyl) ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3OC)OC)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)[C@H]2CC(=O)N(C2)C3=CC(=C(C=C3OC)OC)Cl)C

InChI

InChI=1S/C21H22ClNO5/c1-12-5-6-15(7-13(12)2)28-21(25)14-8-20(24)23(11-14)17-9-16(22)18(26-3)10-19(17)27-4/h5-7,9-10,14H,8,11H2,1-4H3/t14-/m0/s1