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

Systemtic Name: 1-[(2-methoxyphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methoxyphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-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(=CC=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

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

InChI

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