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

Systemtic Name: 1-[1-(3-phenylmethoxyphenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(3-benzyloxyphenyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3-phenylmethoxyphenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-phenylmethoxyphenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(3-benzoxyphenyl)ethyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC(C1=CC(=CC=C1)OCC2=CC=CC=C2)N3CCCC(C3)C(=O)O

InChI

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