[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-keto-ethyl] ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

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