2-(phenylmethyl)-3-[2-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

Systemtic Name: 2-(phenylmethyl)-3-[2-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Openeye Name: 2-benzyl-3-[2-[4-(4-piperidyl)butoxy]phenyl]propanoic acid CAS Name: 2-(phenylmethyl)-3-[2-[4-(4-piperidinyl)butoxy]phenyl]propanoic acid IUPAC Name: 2-benzyl-3-[2-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Traditional Name: 2-benzyl-3-[2-[4-(4-piperidyl)butoxy]phenyl]propionic acid Formula: C25H33NO3 MolecularWeight: 395.53442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCOC2=CC=CC=C2CC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CNCCC1CCCCOC2=CC=CC=C2CC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H33NO3/c27-25(28)23(18-21-9-2-1-3-10-21)19-22-11-4-5-12-24(22)29-17-7-6-8-20-13-15-26-16-14-20/h1-5,9-12,20,23,26H,6-8,13-19H2,(H,27,28)