[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18N2O5/c1-13(20(24)22-11-14-6-9-18-19(10-14)27-12-26-18)28-21(25)17-8-7-15-4-2-3-5-16(15)23-17/h2-10,13H,11-12H2,1H3,(H,22,24)