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

Systemtic Name: 2-[[[1-(3-piperidin-4-ylpropanoyl)pyrrolidin-3-yl]carbonylamino]methyl]but-3-ynoic acid hydrochloride Openeye Name: 2-[[[1-[3-(4-piperidyl)propanoyl]pyrrolidine-3-carbonyl]amino]methyl]but-3-ynoic acid hydrochloride CAS Name: 2-[[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-pyrrolidinyl]methyl]amino]methyl]-3-butynoic acid hydrochloride IUPAC Name: 2-[[[1-(3-piperidin-4-ylpropanoyl)pyrrolidine-3-carbonyl]amino]methyl]but-3-ynoic acid hydrochloride Traditional Name: 2-[[[1-[3-(4-piperidyl)propanoyl]pyrrolidine-3-carbonyl]amino]methyl]but-3-ynoic acid hydrochloride Formula: C18H28ClN3O4 MolecularWeight: 385.88562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC(CNC(=O)C1CCN(C1)C(=O)CCC2CCNCC2)C(=O)O.Cl

Isomeric SMILES

C#CC(CNC(=O)C1CCN(C1)C(=O)CCC2CCNCC2)C(=O)O.Cl

InChI

InChI=1S/C18H27N3O4.ClH/c1-2-14(18(24)25)11-20-17(23)15-7-10-21(12-15)16(22)4-3-13-5-8-19-9-6-13;/h1,13-15,19H,3-12H2,(H,20,23)(H,24,25);1H