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

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-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] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N2O5/c1-13-9-17(16-5-3-4-6-18(16)24-13)22(26)29-14(2)21(25)23-11-15-7-8-19-20(10-15)28-12-27-19/h3-10,14H,11-12H2,1-2H3,(H,23,25)