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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCCC#N)OC

InChI

InChI=1S/C23H21N3O5/c1-29-20-9-8-15(12-21(20)30-2)19-13-17(16-6-3-4-7-18(16)26-19)23(28)31-14-22(27)25-11-5-10-24/h3-4,6-9,12-13H,5,11,14H2,1-2H3,(H,25,27)