[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 6-methoxy-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 6-methoxy-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 6-methoxy-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methoxy-2-phenyl-4-quinolinecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 6-methoxy-2-phenylquinoline-4-carboxylate Traditional Name: 6-methoxy-2-phenyl-cinchoninic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC(=NC2=C1C=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O4/c1-26(12-6-11-24)22(27)15-30-23(28)19-14-21(16-7-4-3-5-8-16)25-20-10-9-17(29-2)13-18(19)20/h3-5,7-10,13-14H,6,12,15H2,1-2H3