3-phenylpropyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-butanoyl)piperidine-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4/c1-21(2,3)18(23)19(24)22-14-8-7-13-17(22)20(25)26-15-9-12-16-10-5-4-6-11-16/h4-6,10-11,17H,7-9,12-15H2,1-3H3/t17-/m0/s1