2-[4-cyano-4-[2-(2,4,6-trimethylphenyl)ethanoylamino]piperidin-1-yl]propanoic acid

Systemtic Name: 2-[4-cyano-4-[2-(2,4,6-trimethylphenyl)ethanoylamino]piperidin-1-yl]propanoic acid Openeye Name: 2-[4-cyano-4-[[2-(2,4,6-trimethylphenyl)acetyl]amino]-1-piperidyl]propanoic acid CAS Name: 2-[4-cyano-4-[[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]-1-piperidinyl]propanoic acid IUPAC Name: 2-[4-cyano-4-[[2-(2,4,6-trimethylphenyl)acetyl]amino]piperidin-1-yl]propanoic acid Traditional Name: 2-[4-cyano-4-[(2-mesitylacetyl)amino]piperidino]propionic acid Formula: C20H27N3O3 MolecularWeight: 357.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CC(=O)NC2(CCN(CC2)C(C)C(=O)O)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC(=O)NC2(CCN(CC2)C(C)C(=O)O)C#N)C

InChI

InChI=1S/C20H27N3O3/c1-13-9-14(2)17(15(3)10-13)11-18(24)22-20(12-21)5-7-23(8-6-20)16(4)19(25)26/h9-10,16H,5-8,11H2,1-4H3,(H,22,24)(H,25,26)