1-[1-(2-phenylmethoxyphenyl)ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(2-phenylmethoxyphenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(2-benzyloxyphenyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(2-phenylmethoxyphenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(2-phenylmethoxyphenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(2-benzoxyphenyl)ethyl]nipecotic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OCC2=CC=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1OCC2=CC=CC=C2)N3CCCC(C3)C(=O)O

InChI

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