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

Systemtic Name: 3-phenylpropyl 2-(3,3-dimethyl-2-oxidanyl-pentanoyl)-1-oxidanyl-piperidine-2-carboxylate Openeye Name: 3-phenylpropyl 1-hydroxy-2-(2-hydroxy-3,3-dimethyl-pentanoyl)piperidine-2-carboxylate CAS Name: 1-hydroxy-2-(2-hydroxy-3,3-dimethyl-1-oxopentyl)-2-piperidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 1-hydroxy-2-(2-hydroxy-3,3-dimethylpentanoyl)piperidine-2-carboxylate Traditional Name: 1-hydroxy-2-(2-hydroxy-3,3-dimethyl-pentanoyl)pipecolinic acid 3-phenylpropyl ester Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(C(=O)C1(CCCCN1O)C(=O)OCCCC2=CC=CC=C2)O

Isomeric SMILES

CCC(C)(C)C(C(=O)C1(CCCCN1O)C(=O)OCCCC2=CC=CC=C2)O

InChI

InChI=1S/C22H33NO5/c1-4-21(2,3)18(24)19(25)22(14-8-9-15-23(22)27)20(26)28-16-10-13-17-11-6-5-7-12-17/h5-7,11-12,18,24,27H,4,8-10,13-16H2,1-3H3