3-pyridin-3-ylpropyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate Openeye Name: 3-(3-pyridyl)propyl (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid 3-(3-pyridyl)propyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4/c1-4-21(2,3)18(24)19(25)23-13-6-5-11-17(23)20(26)27-14-8-10-16-9-7-12-22-15-16/h7,9,12,15,17H,4-6,8,10-11,13-14H2,1-3H3/t17-/m0/s1