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

Systemtic Name: 1-[(3-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3-methoxyphenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

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