1-[(2,6-dimethoxyphenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-pyridyl)methyl]isonipecotic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=C(C=CC=C2OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=C(C=CC=C2OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H28N2O4/c1-4-15-8-9-17(23-14-15)21(24-12-10-16(11-13-24)22(25)26)20-18(27-2)6-5-7-19(20)28-3/h5-9,14,16,21H,4,10-13H2,1-3H3,(H,25,26)