[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H18N2O6/c1-12(20(25)22-10-13-6-7-18-19(8-13)28-11-27-18)29-21(26)16-9-17(24)14-4-2-3-5-15(14)23-16/h2-9,12H,10-11H2,1H3,(H,22,25)(H,23,24)/t12-/m1/s1