[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H20N2O6/c1-3-29-22(27)24-20(25)13-30-21(26)17-12-19(14-8-10-15(28-2)11-9-14)23-18-7-5-4-6-16(17)18/h4-12H,3,13H2,1-2H3,(H,24,25,27)