1-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxy-3-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(2-benzoxy-3-methoxy-benzyl)nipecotic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)CN3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)CN3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H25NO4/c1-25-19-11-5-9-17(13-22-12-6-10-18(14-22)21(23)24)20(19)26-15-16-7-3-2-4-8-16/h2-5,7-9,11,18H,6,10,12-15H2,1H3,(H,23,24)