1-[(4-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(4-methoxyphenyl)methyl]isonipecotic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C27H29NO4/c1-31-23-13-11-21(12-14-23)26(28-17-15-22(16-18-28)27(29)30)24-9-5-6-10-25(24)32-19-20-7-3-2-4-8-20/h2-14,22,26H,15-19H2,1H3,(H,29,30)