1-[(3,5-dimethylphenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(5-ethyl-2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(5-ethyl-2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(5-ethyl-2-pyridyl)methyl]pipecolinic acid Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCCCC3C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCCCC3C(=O)O

InChI

InChI=1S/C22H28N2O2/c1-4-17-8-9-19(23-14-17)21(18-12-15(2)11-16(3)13-18)24-10-6-5-7-20(24)22(25)26/h8-9,11-14,20-21H,4-7,10H2,1-3H3,(H,25,26)