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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-(1-pyridin-3-ylpropyl)piperidine-2-carboxylate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-3-[1-(3-pyridyl)propyl]piperidine-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-3-[1-(3-pyridinyl)propyl]-2-piperidinecarboxylate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-3-(1-pyridin-3-ylpropyl)piperidine-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-3-[1-(3-pyridyl)propyl]pipecolinate Formula: C21H29N2O4- MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN(C1C(=O)[O-])C(=O)C(=O)C(C)(C)CC)C2=CN=CC=C2

Isomeric SMILES

CCC(C1CCCN(C1C(=O)[O-])C(=O)C(=O)C(C)(C)CC)C2=CN=CC=C2

InChI

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