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

Systemtic Name: 2-[[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]methyl]but-3-ynoic acid Openeye Name: 2-[[[1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid CAS Name: 2-[[[oxo-[1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]methyl]-3-butynoic acid IUPAC Name: 2-[[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid Traditional Name: 2-[[[1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]methyl]but-3-ynoic acid Formula: C19H27N3O4 MolecularWeight: 361.43538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC(CNC(=O)C1CCCN(C1)C(=O)C=CC2CCNCC2)C(=O)O

Isomeric SMILES

C#CC(CNC(=O)C1CCCN(C1)C(=O)/C=C/C2CCNCC2)C(=O)O

InChI

InChI=1S/C19H27N3O4/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/h1,5-6,14-16,20H,3-4,7-13H2,(H,21,24)(H,25,26)/b6-5+