ethyl 1-[4-(2-oxidanylidenepyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylate hydrochloride

Systemtic Name: ethyl 1-[4-(2-oxidanylidenepyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylate hydrochloride Openeye Name: ethyl 1-[4-(2-oxopyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylate hydrochloride CAS Name: 1-[4-(2-oxo-1-pyrrolidinyl)-2-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-[4-(2-oxopyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxylate hydrochloride Traditional Name: 1-[4-(2-ketopyrrolidino)pyrimidin-2-yl]isonipecotic acid ethyl ester hydrochloride Formula: C16H23ClN4O3 MolecularWeight: 354.83182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=CC(=N2)N3CCCC3=O.Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=CC(=N2)N3CCCC3=O.Cl

InChI

InChI=1S/C16H22N4O3.ClH/c1-2-23-15(22)12-6-10-19(11-7-12)16-17-8-5-13(18-16)20-9-3-4-14(20)21;/h5,8,12H,2-4,6-7,9-11H2,1H3;1H