3-[3-cyano-4-[2-oxidanylidene-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]phenyl]propanoic acid

Systemtic Name: 3-[3-cyano-4-[2-oxidanylidene-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]phenyl]propanoic acid Openeye Name: 3-[3-cyano-4-[2-oxo-3-[2-(4-piperidyl)ethyl]imidazolidin-4-yl]phenyl]propanoic acid CAS Name: 3-[3-cyano-4-[2-oxo-3-[2-(4-piperidinyl)ethyl]-4-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[3-cyano-4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]phenyl]propanoic acid Traditional Name: 3-[3-cyano-4-[2-keto-3-[2-(4-piperidyl)ethyl]imidazolidin-4-yl]phenyl]propionic acid Formula: C20H26N4O3 MolecularWeight: 370.44544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN2C(CNC2=O)C3=C(C=C(C=C3)CCC(=O)O)C#N

Isomeric SMILES

C1CNCCC1CCN2C(CNC2=O)C3=C(C=C(C=C3)CCC(=O)O)C#N

InChI

InChI=1S/C20H26N4O3/c21-12-16-11-15(2-4-19(25)26)1-3-17(16)18-13-23-20(27)24(18)10-7-14-5-8-22-9-6-14/h1,3,11,14,18,22H,2,4-10,13H2,(H,23,27)(H,25,26)