1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-(2-phenylpropan-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-(2-phenylpropan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-3-(1-methyl-1-phenyl-ethyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-3-(2-phenylpropan-2-yl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-3-(2-phenylpropan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 3-cumyl-1-(2-keto-3,3-dimethyl-pentanoyl)proline Formula: C21H29NO4 MolecularWeight: 359.45926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCC(C1C(=O)O)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC(C1C(=O)O)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C21H29NO4/c1-6-20(2,3)17(23)18(24)22-13-12-15(16(22)19(25)26)21(4,5)14-10-8-7-9-11-14/h7-11,15-16H,6,12-13H2,1-5H3,(H,25,26)