1-[1-(3-phenylmethoxyphenyl)ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(3-phenylmethoxyphenyl)ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(3-benzyloxyphenyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(3-phenylmethoxyphenyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-phenylmethoxyphenyl)ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(3-benzoxyphenyl)ethyl]isonipecotic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OCC2=CC=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C1=CC(=CC=C1)OCC2=CC=CC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H25NO3/c1-16(22-12-10-18(11-13-22)21(23)24)19-8-5-9-20(14-19)25-15-17-6-3-2-4-7-17/h2-9,14,16,18H,10-13,15H2,1H3,(H,23,24)