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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)nipecotic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCCC(C2)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCCC(C2)C(=O)O)OCC3=CC=CC=C3

InChI

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