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

Systemtic Name: 1-[1-(3-methoxy-4-phenylmethoxy-phenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-benzyloxy-3-methoxy-phenyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(4-benzoxy-3-methoxy-phenyl)ethyl]nipecotic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-16(23-12-6-9-19(14-23)22(24)25)18-10-11-20(21(13-18)26-2)27-15-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,19H,6,9,12,14-15H2,1-2H3,(H,24,25)