1-[(3,4-diethoxyphenyl)-(5-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(5-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(5-methyl-2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(5-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(5-methyl-2-pyridyl)methyl]proline Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=NC=C(C=C2)C)N3CCCC3C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=NC=C(C=C2)C)N3CCCC3C(=O)O)OCC

InChI

InChI=1S/C22H28N2O4/c1-4-27-19-11-9-16(13-20(19)28-5-2)21(17-10-8-15(3)14-23-17)24-12-6-7-18(24)22(25)26/h8-11,13-14,18,21H,4-7,12H2,1-3H3,(H,25,26)