3-[1-(2-phenethylphenoxy)-3-piperidin-1-yl-propan-2-yl]oxypropanoic acid

Systemtic Name: 3-[1-(2-phenethylphenoxy)-3-piperidin-1-yl-propan-2-yl]oxypropanoic acid Openeye Name: 3-[1-[(2-phenethylphenoxy)methyl]-2-(1-piperidyl)ethoxy]propanoic acid CAS Name: 3-[1-(2-phenethylphenoxy)-3-(1-piperidinyl)propan-2-yl]oxypropanoic acid IUPAC Name: 3-[1-(2-phenethylphenoxy)-3-piperidin-1-ylpropan-2-yl]oxypropanoic acid Traditional Name: 3-[1-[(2-phenethylphenoxy)methyl]-2-piperidino-ethoxy]propionic acid Formula: C25H33NO4 MolecularWeight: 411.53382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OCCC(=O)O

Isomeric SMILES

C1CCN(CC1)CC(COC2=CC=CC=C2CCC3=CC=CC=C3)OCCC(=O)O

InChI

InChI=1S/C25H33NO4/c27-25(28)15-18-29-23(19-26-16-7-2-8-17-26)20-30-24-12-6-5-11-22(24)14-13-21-9-3-1-4-10-21/h1,3-6,9-12,23H,2,7-8,13-20H2,(H,27,28)