1-[(3-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3-methoxyphenyl)methyl]isonipecotic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

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