3-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]benzoic acid

Systemtic Name: 3-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]benzoic acid Openeye Name: 3-[3-(4-benzyl-1-piperidyl)propoxy]benzoic acid CAS Name: 3-[3-[4-(phenylmethyl)-1-piperidinyl]propoxy]benzoic acid IUPAC Name: 3-[3-(4-benzylpiperidin-1-yl)propoxy]benzoic acid Traditional Name: 3-[3-(4-benzylpiperidino)propoxy]benzoic acid Formula: C22H27NO3 MolecularWeight: 353.45468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H27NO3/c24-22(25)20-8-4-9-21(17-20)26-15-5-12-23-13-10-19(11-14-23)16-18-6-2-1-3-7-18/h1-4,6-9,17,19H,5,10-16H2,(H,24,25)