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

Systemtic Name: 2-[[[1-(2-piperidin-4-yloxyethanoyl)piperidin-3-yl]carbonylamino]methyl]but-3-ynoic acid Openeye Name: 2-[[[1-[2-(4-piperidyloxy)acetyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid CAS Name: 2-[[[oxo-[1-[1-oxo-2-(4-piperidinyloxy)ethyl]-3-piperidinyl]methyl]amino]methyl]-3-butynoic acid IUPAC Name: 2-[[[1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid Traditional Name: 2-[[[1-[2-(4-piperidyloxy)acetyl]nipecotoyl]amino]methyl]but-3-ynoic acid Formula: C18H27N3O5 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CNC(=O)C1CCCN(C1)C(=O)COC2CCNCC2)C(=O)O

Isomeric SMILES

C#CC(CNC(=O)C1CCCN(C1)C(=O)COC2CCNCC2)C(=O)O

InChI

InChI=1S/C18H27N3O5/c1-2-13(18(24)25)10-20-17(23)14-4-3-9-21(11-14)16(22)12-26-15-5-7-19-8-6-15/h1,13-15,19H,3-12H2,(H,20,23)(H,24,25)