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

Systemtic Name: 4-[2-[4-(phenylmethyl)piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 4-[2-(4-benzyl-1-piperidyl)ethoxy]benzoic acid CAS Name: 4-[2-[4-(phenylmethyl)-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)ethoxy]benzoic acid Traditional Name: 4-[2-(4-benzylpiperidino)ethoxy]benzoic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H25NO3/c23-21(24)19-6-8-20(9-7-19)25-15-14-22-12-10-18(11-13-22)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,23,24)