1-ethyl-2-[4-(phenylmethyl)phenoxy]piperidine-4-carboxylic acid

Systemtic Name: 1-ethyl-2-[4-(phenylmethyl)phenoxy]piperidine-4-carboxylic acid Openeye Name: 2-(4-benzylphenoxy)-1-ethyl-piperidine-4-carboxylic acid CAS Name: 1-ethyl-2-[4-(phenylmethyl)phenoxy]-4-piperidinecarboxylic acid IUPAC Name: 2-(4-benzylphenoxy)-1-ethylpiperidine-4-carboxylic acid Traditional Name: 2-(4-benzylphenoxy)-1-ethyl-isonipecotic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1OC2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN1CCC(CC1OC2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H25NO3/c1-2-22-13-12-18(21(23)24)15-20(22)25-19-10-8-17(9-11-19)14-16-6-4-3-5-7-16/h3-11,18,20H,2,12-15H2,1H3,(H,23,24)