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

Systemtic Name: (2,5-dimethylphenyl) (3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2,5-dimethylphenyl) (3S)-1-(3-chloro-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(3-chloro-2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) (3S)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(3-chloro-2-methyl-phenyl)-5-keto-pyrrolidine-3-carboxylic acid (2,5-dimethylphenyl) ester Formula: C20H20ClNO3 MolecularWeight: 357.8307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO3/c1-12-7-8-13(2)18(9-12)25-20(24)15-10-19(23)22(11-15)17-6-4-5-16(21)14(17)3/h4-9,15H,10-11H2,1-3H3/t15-/m0/s1