1-[(4-ethoxy-3-methoxy-phenyl)-(5-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(5-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(5-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]proline Formula: C21H26N2O4 MolecularWeight: 370.44214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-4-27-18-10-8-15(12-19(18)26-3)20(16-9-7-14(2)13-22-16)23-11-5-6-17(23)21(24)25/h7-10,12-13,17,20H,4-6,11H2,1-3H3,(H,24,25)