2-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]benzoic acid

Systemtic Name: 2-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]benzoic acid Openeye Name: 2-[3-(4-benzyl-1-piperidyl)propoxy]benzoic acid CAS Name: 2-[3-[4-(phenylmethyl)-1-piperidinyl]propoxy]benzoic acid IUPAC Name: 2-[3-(4-benzylpiperidin-1-yl)propoxy]benzoic acid Traditional Name: 2-[3-(4-benzylpiperidino)propoxy]benzoic acid Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC=CC=C3C(=O)O

InChI

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