propyl (2S)-3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate

Systemtic Name: propyl (2S)-3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate Openeye Name: propyl (2S)-3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid propyl ester IUPAC Name: propyl (2S)-3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-3-(3,4-dichlorophenyl)-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carboxylic acid propyl ester Formula: C21H27Cl2NO4 MolecularWeight: 428.34938

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(CCN1C(=O)C(=O)C(C)(C)CC)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCCOC(=O)[C@@H]1C(CCN1C(=O)C(=O)C(C)(C)CC)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H27Cl2NO4/c1-5-11-28-20(27)17-14(13-7-8-15(22)16(23)12-13)9-10-24(17)19(26)18(25)21(3,4)6-2/h7-8,12,14,17H,5-6,9-11H2,1-4H3/t14?,17-/m0/s1