[2-[[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[2-(ethoxycarbonylamino)-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[[2-(carbethoxyamino)-2-keto-ethyl]-ethyl-amino]-2-keto-ethyl] ester Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(=O)OCC)C(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CCN(CC(=O)NC(=O)OCC)C(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C19H21N3O6/c1-3-22(11-16(23)21-19(26)27-4-2)17(24)12-28-18(25)15-10-9-13-7-5-6-8-14(13)20-15/h5-10H,3-4,11-12H2,1-2H3,(H,21,23,26)