diethyl 2-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-ynyl]propanedioate

Systemtic Name: diethyl 2-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-ynyl]propanedioate Openeye Name: diethyl 2-[4-[(2R)-2-(3-pyridyl)-1-piperidyl]but-2-ynyl]propanedioate CAS Name: 2-[4-[(2R)-2-(3-pyridinyl)-1-piperidinyl]but-2-ynyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-ynyl]propanedioate Traditional Name: 2-[4-[(2R)-2-(3-pyridyl)piperidino]but-2-ynyl]malonic acid diethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#CCN1CCCCC1C2=CN=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC#CCN1CCCC[C@@H]1C2=CN=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H28N2O4/c1-3-26-20(24)18(21(25)27-4-2)11-5-7-14-23-15-8-6-12-19(23)17-10-9-13-22-16-17/h9-10,13,16,18-19H,3-4,6,8,11-12,14-15H2,1-2H3/t19-/m1/s1