ethyl 2-[4-(butylcarbamoyl)quinolin-2-yl]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[4-(butylcarbamoyl)quinolin-2-yl]-2-cyano-ethanoate Openeye Name: ethyl 2-[4-(butylcarbamoyl)-2-quinolyl]-2-cyano-acetate CAS Name: 2-[4-[butylamino(oxo)methyl]-2-quinolinyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(butylcarbamoyl)quinolin-2-yl]-2-cyanoacetate Traditional Name: 2-[4-(butylcarbamoyl)-2-quinolyl]-2-cyano-acetic acid ethyl ester Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C(C#N)C(=O)OCC

Isomeric SMILES

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C(C#N)C(=O)OCC

InChI

InChI=1S/C19H21N3O3/c1-3-5-10-21-18(23)14-11-17(15(12-20)19(24)25-4-2)22-16-9-7-6-8-13(14)16/h6-9,11,15H,3-5,10H2,1-2H3,(H,21,23)