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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(C(=O)N1CCCCC1C(=O)OCCCC2=CC=CC=C2)O

Isomeric SMILES

CCC(C)(C)C(C(=O)N1CCCC[C@H]1C(=O)OCCCC2=CC=CC=C2)O

InChI

InChI=1S/C22H33NO4/c1-4-22(2,3)19(24)20(25)23-15-9-8-14-18(23)21(26)27-16-10-13-17-11-6-5-7-12-17/h5-7,11-12,18-19,24H,4,8-10,13-16H2,1-3H3/t18-,19?/m0/s1