1-[1-(3-ethoxy-4-phenylmethoxy-phenyl)ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(3-ethoxy-4-phenylmethoxy-phenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-benzyloxy-3-ethoxy-phenyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3-ethoxy-4-phenylmethoxyphenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-ethoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(4-benzoxy-3-ethoxy-phenyl)ethyl]nipecotic acid Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C)N2CCCC(C2)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C)N2CCCC(C2)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H29NO4/c1-3-27-22-14-19(17(2)24-13-7-10-20(15-24)23(25)26)11-12-21(22)28-16-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17,20H,3,7,10,13,15-16H2,1-2H3,(H,25,26)