1-[(4-dimethylaminophenyl)-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-pyridyl)methyl]proline Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-4-15-7-12-18(22-14-15)20(24-13-5-6-19(24)21(25)26)16-8-10-17(11-9-16)23(2)3/h7-12,14,19-20H,4-6,13H2,1-3H3,(H,25,26)