[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O5/c1-4-17-13(2)21(16-7-5-6-8-18(16)25-17)23(27)30-14(3)22(26)24-15-9-10-19-20(11-15)29-12-28-19/h5-11,14H,4,12H2,1-3H3,(H,24,26)