3-[4-cyano-2-[3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]propoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-cyano-2-[3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]propoxy]phenyl]propanoic acid Openeye Name: 3-[4-cyano-2-[3-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]propoxy]phenyl]propanoic acid CAS Name: 3-[4-cyano-2-[3-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]propoxy]phenyl]propanoic acid IUPAC Name: 3-[4-cyano-2-[3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propoxy]phenyl]propanoic acid Traditional Name: 3-[4-cyano-2-[3-[[1-(4-pyridyl)isonipecotoyl]amino]propoxy]phenyl]propionic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCOC2=C(C=CC(=C2)C#N)CCC(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCCOC2=C(C=CC(=C2)C#N)CCC(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C24H28N4O4/c25-17-18-2-3-19(4-5-23(29)30)22(16-18)32-15-1-10-27-24(31)20-8-13-28(14-9-20)21-6-11-26-12-7-21/h2-3,6-7,11-12,16,20H,1,4-5,8-10,13-15H2,(H,27,31)(H,29,30)