[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-2-keto-ethyl] ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H18N2O6/c1-13-10-15(14-6-2-3-7-16(14)23-13)22(27)29-12-20(25)24-21(26)19-11-28-17-8-4-5-9-18(17)30-19/h2-10,19H,11-12H2,1H3,(H,24,25,26)/t19-/m1/s1