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

Systemtic Name: 4-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]benzoic acid Openeye Name: 4-[3-(4-benzyl-1-piperidyl)propoxy]benzoic acid CAS Name: 4-[3-[4-(phenylmethyl)-1-piperidinyl]propoxy]benzoic acid IUPAC Name: 4-[3-(4-benzylpiperidin-1-yl)propoxy]benzoic acid Traditional Name: 4-[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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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