diethyl 4-(pyridin-3-ylmethylamino)quinoline-3,6-dicarboxylate

Systemtic Name: diethyl 4-(pyridin-3-ylmethylamino)quinoline-3,6-dicarboxylate Openeye Name: diethyl 4-(3-pyridylmethylamino)quinoline-3,6-dicarboxylate CAS Name: 4-(3-pyridinylmethylamino)quinoline-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(pyridin-3-ylmethylamino)quinoline-3,6-dicarboxylate Traditional Name: 4-(3-pyridylmethylamino)quinoline-3,6-dicarboxylic acid diethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCC3=CN=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-3-27-20(25)15-7-8-18-16(10-15)19(17(13-23-18)21(26)28-4-2)24-12-14-6-5-9-22-11-14/h5-11,13H,3-4,12H2,1-2H3,(H,23,24)