[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 6-methoxy-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 6-methoxy-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 6-methoxy-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methoxy-2-phenyl-4-quinolinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate Traditional Name: 6-methoxy-2-phenyl-cinchoninic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NCCC#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4/c1-28-16-8-9-19-17(12-16)18(13-20(25-19)15-6-3-2-4-7-15)22(27)29-14-21(26)24-11-5-10-23/h2-4,6-9,12-13H,5,11,14H2,1H3,(H,24,26)