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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCC(C1C(=O)O)CCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC(C1C(=O)O)CCCC2=CC=CC=C2

InChI

InChI=1S/C21H29NO4/c1-4-21(2,3)18(23)19(24)22-14-13-16(17(22)20(25)26)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,16-17H,4,8,11-14H2,1-3H3,(H,25,26)