[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C25H19N3O5 MolecularWeight: 441.43546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C25H19N3O5/c29-24(27-13-16-5-6-22-23(11-16)33-15-32-22)14-31-25(30)19-12-21(17-7-9-26-10-8-17)28-20-4-2-1-3-18(19)20/h1-12H,13-15H2,(H,27,29)