1-[(5-ethylpyridin-2-yl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(4-methoxyphenyl)methyl]isonipecotic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=C(C=C2)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=C(C=C2)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H26N2O3/c1-3-15-4-9-19(22-14-15)20(16-5-7-18(26-2)8-6-16)23-12-10-17(11-13-23)21(24)25/h4-9,14,17,20H,3,10-13H2,1-2H3,(H,24,25)