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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-pyridin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(3-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(3-pyridyl)methyl]proline Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CN=CC=C2)N3CCCC3C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CN=CC=C2)N3CCCC3C(=O)O)OCC

InChI

InChI=1S/C21H26N2O4/c1-3-26-18-10-9-15(13-19(18)27-4-2)20(16-7-5-11-22-14-16)23-12-6-8-17(23)21(24)25/h5,7,9-11,13-14,17,20H,3-4,6,8,12H2,1-2H3,(H,24,25)