1-(3,3-dimethyl-2-oxidanyl-pentanoyl)-3-(1-phenylpropyl)piperidine-2-carboxylic acid

Systemtic Name: 1-(3,3-dimethyl-2-oxidanyl-pentanoyl)-3-(1-phenylpropyl)piperidine-2-carboxylic acid Openeye Name: 1-(2-hydroxy-3,3-dimethyl-pentanoyl)-3-(1-phenylpropyl)piperidine-2-carboxylic acid CAS Name: 1-(2-hydroxy-3,3-dimethyl-1-oxopentyl)-3-(1-phenylpropyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(2-hydroxy-3,3-dimethylpentanoyl)-3-(1-phenylpropyl)piperidine-2-carboxylic acid Traditional Name: 1-(2-hydroxy-3,3-dimethyl-pentanoyl)-3-(1-phenylpropyl)pipecolinic acid Formula: C22H33NO4 MolecularWeight: 375.50172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO4/c1-5-16(15-11-8-7-9-12-15)17-13-10-14-23(18(17)21(26)27)20(25)19(24)22(3,4)6-2/h7-9,11-12,16-19,24H,5-6,10,13-14H2,1-4H3,(H,26,27)