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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(5-ethyl-2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(5-ethyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(5-ethyl-2-pyridyl)methyl]proline Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCCC3C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCCC3C(=O)O

InChI

InChI=1S/C21H26N2O2/c1-4-16-7-8-18(22-13-16)20(17-11-14(2)10-15(3)12-17)23-9-5-6-19(23)21(24)25/h7-8,10-13,19-20H,4-6,9H2,1-3H3,(H,24,25)