2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]but-3-ynoic acid hydrochloride

Systemtic Name: 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]but-3-ynoic acid hydrochloride Openeye Name: 2-[[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid hydrochloride CAS Name: 2-[[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]methyl]-3-butynoic acid hydrochloride IUPAC Name: 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid hydrochloride Traditional Name: 2-[[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]methyl]but-3-ynoic acid hydrochloride Formula: C19H30ClN3O4 MolecularWeight: 399.9122

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)O.Cl

Isomeric SMILES

C#CC(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)O.Cl

InChI

InChI=1S/C19H29N3O4.ClH/c1-2-15(19(25)26)12-21-18(24)16-4-3-11-22(13-16)17(23)6-5-14-7-9-20-10-8-14;/h1,14-16,20H,3-13H2,(H,21,24)(H,25,26);1H