3-phenylpropyl (2S)-1-(3,3,4-trimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate

Systemtic Name: 3-phenylpropyl (2S)-1-(3,3,4-trimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate Openeye Name: 3-phenylpropyl (2S)-1-(3,3,4-trimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate CAS Name: (2S)-1-(3,3,4-trimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (2S)-1-(3,3,4-trimethyl-2-oxopentanoyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(2-keto-3,3,4-trimethyl-pentanoyl)pipecolinic acid 3-phenylpropyl ester Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO4/c1-17(2)23(3,4)20(25)21(26)24-15-9-8-14-19(24)22(27)28-16-10-13-18-11-6-5-7-12-18/h5-7,11-12,17,19H,8-10,13-16H2,1-4H3/t19-/m0/s1