1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(2-methoxyphenyl)methyl]nipecotic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

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