3-[4-[4-[[(4-methylpyridin-2-yl)amino]methyl]piperidin-1-yl]phenyl]-2-(2-oxidanylidene-3-phenyl-pyrrolidin-1-yl)propanoic acid

Systemtic Name: 3-[4-[4-[[(4-methylpyridin-2-yl)amino]methyl]piperidin-1-yl]phenyl]-2-(2-oxidanylidene-3-phenyl-pyrrolidin-1-yl)propanoic acid Openeye Name: 3-[4-[4-[[(4-methyl-2-pyridyl)amino]methyl]-1-piperidyl]phenyl]-2-(2-oxo-3-phenyl-pyrrolidin-1-yl)propanoic acid CAS Name: 3-[4-[4-[[(4-methyl-2-pyridinyl)amino]methyl]-1-piperidinyl]phenyl]-2-(2-oxo-3-phenyl-1-pyrrolidinyl)propanoic acid IUPAC Name: 3-[4-[4-[[(4-methylpyridin-2-yl)amino]methyl]piperidin-1-yl]phenyl]-2-(2-oxo-3-phenylpyrrolidin-1-yl)propanoic acid Traditional Name: 2-(2-keto-3-phenyl-pyrrolidino)-3-[4-[4-[[(4-methyl-2-pyridyl)amino]methyl]piperidino]phenyl]propionic acid Formula: C31H36N4O3 MolecularWeight: 512.64254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NCC2CCN(CC2)C3=CC=C(C=C3)CC(C(=O)O)N4CCC(C4=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC=C1)NCC2CCN(CC2)C3=CC=C(C=C3)CC(C(=O)O)N4CCC(C4=O)C5=CC=CC=C5

InChI

InChI=1S/C31H36N4O3/c1-22-11-15-32-29(19-22)33-21-24-12-16-34(17-13-24)26-9-7-23(8-10-26)20-28(31(37)38)35-18-14-27(30(35)36)25-5-3-2-4-6-25/h2-11,15,19,24,27-28H,12-14,16-18,20-21H2,1H3,(H,32,33)(H,37,38)