[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C24H23N3O6 MolecularWeight: 449.45592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C24H23N3O6/c1-30-20-11-15(12-21(31-2)23(20)32-3)19-13-17(16-7-4-5-8-18(16)27-19)24(29)33-14-22(28)26-10-6-9-25/h4-5,7-8,11-13H,6,10,14H2,1-3H3,(H,26,28)