3-[[3-[phenethyl(2-piperidin-4-ylethyl)carbamoyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-[phenethyl(2-piperidin-4-ylethyl)carbamoyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-[phenethyl-[2-(4-piperidyl)ethyl]carbamoyl]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[3-[oxo-[phenethyl-[2-(4-piperidinyl)ethyl]amino]methyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[3-[phenethyl(2-piperidin-4-ylethyl)carbamoyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[3-[phenethyl-[2-(4-piperidyl)ethyl]carbamoyl]benzoyl]amino]propionic acid Formula: C26H33N3O4 MolecularWeight: 451.55792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN(CCC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C(=O)NCCC(=O)O

Isomeric SMILES

C1CNCCC1CCN(CCC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C26H33N3O4/c30-24(31)11-16-28-25(32)22-7-4-8-23(19-22)26(33)29(17-12-20-5-2-1-3-6-20)18-13-21-9-14-27-15-10-21/h1-8,19,21,27H,9-18H2,(H,28,32)(H,30,31)