2-[[2-[2-oxidanylidene-1-(2-pyridin-4-ylethyl)piperidin-3-yl]ethanoylamino]methyl]but-3-ynoic acid

Systemtic Name: 2-[[2-[2-oxidanylidene-1-(2-pyridin-4-ylethyl)piperidin-3-yl]ethanoylamino]methyl]but-3-ynoic acid Openeye Name: 2-[[[2-[2-oxo-1-[2-(4-pyridyl)ethyl]-3-piperidyl]acetyl]amino]methyl]but-3-ynoic acid CAS Name: 2-[[[1-oxo-2-[2-oxo-1-(2-pyridin-4-ylethyl)-3-piperidinyl]ethyl]amino]methyl]-3-butynoic acid IUPAC Name: 2-[[[2-[2-oxo-1-(2-pyridin-4-ylethyl)piperidin-3-yl]acetyl]amino]methyl]but-3-ynoic acid Traditional Name: 2-[[[2-[2-keto-1-[2-(4-pyridyl)ethyl]-3-piperidyl]acetyl]amino]methyl]but-3-ynoic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CNC(=O)CC1CCCN(C1=O)CCC2=CC=NC=C2)C(=O)O

Isomeric SMILES

C#CC(CNC(=O)CC1CCCN(C1=O)CCC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C19H23N3O4/c1-2-15(19(25)26)13-21-17(23)12-16-4-3-10-22(18(16)24)11-7-14-5-8-20-9-6-14/h1,5-6,8-9,15-16H,3-4,7,10-13H2,(H,21,23)(H,25,26)