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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-quinolin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(3-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(3-quinolyl)methyl]proline Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC4C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC4C(=O)O)OCC

InChI

InChI=1S/C25H28N2O4/c1-3-30-22-12-11-18(15-23(22)31-4-2)24(27-13-7-10-21(27)25(28)29)19-14-17-8-5-6-9-20(17)26-16-19/h5-6,8-9,11-12,14-16,21,24H,3-4,7,10,13H2,1-2H3,(H,28,29)