1-(3,3-dimethyl-2-oxidanylidene-butanoyl)-3-(1-phenylpropyl)piperidine-2-carboxylic acid

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butanoyl)-3-(1-phenylpropyl)piperidine-2-carboxylic acid Openeye Name: 1-(3,3-dimethyl-2-oxo-butanoyl)-3-(1-phenylpropyl)piperidine-2-carboxylic acid CAS Name: 1-(3,3-dimethyl-1,2-dioxobutyl)-3-(1-phenylpropyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(3,3-dimethyl-2-oxobutanoyl)-3-(1-phenylpropyl)piperidine-2-carboxylic acid Traditional Name: 1-(2-keto-3,3-dimethyl-butanoyl)-3-(1-phenylpropyl)pipecolinic acid Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN(C1C(=O)O)C(=O)C(=O)C(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CCC(C1CCCN(C1C(=O)O)C(=O)C(=O)C(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H29NO4/c1-5-15(14-10-7-6-8-11-14)16-12-9-13-22(17(16)20(25)26)19(24)18(23)21(2,3)4/h6-8,10-11,15-17H,5,9,12-13H2,1-4H3,(H,25,26)