1-[(5-methylpyridin-2-yl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-methylpyridin-2-yl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(5-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-methyl-2-pyridinyl)-(4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylpyridin-2-yl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(5-methyl-2-pyridyl)methyl]nipecotic acid Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

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