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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H27Cl2NO4/c1-4-21(2,3)18(25)19(26)24-11-5-8-17(24)20(27)28-12-6-7-14-9-10-15(22)16(23)13-14/h9-10,13,17H,4-8,11-12H2,1-3H3/t17-/m0/s1