1-[(5-methylpyridin-2-yl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-methylpyridin-2-yl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(5-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-methyl-2-pyridinyl)-(2-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylpyridin-2-yl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(5-methyl-2-pyridyl)methyl]isonipecotic acid Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C26H28N2O3/c1-19-11-12-23(27-17-19)25(28-15-13-21(14-16-28)26(29)30)22-9-5-6-10-24(22)31-18-20-7-3-2-4-8-20/h2-12,17,21,25H,13-16,18H2,1H3,(H,29,30)