ethyl 4-[(3-cyano-6-ethyl-quinolin-4-yl)amino]benzoate

Systemtic Name: ethyl 4-[(3-cyano-6-ethyl-quinolin-4-yl)amino]benzoate Openeye Name: ethyl 4-[(3-cyano-6-ethyl-4-quinolyl)amino]benzoate CAS Name: 4-[(3-cyano-6-ethyl-4-quinolinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyano-6-ethylquinolin-4-yl)amino]benzoate Traditional Name: 4-[(3-cyano-6-ethyl-4-quinolyl)amino]benzoic acid ethyl ester Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H19N3O2/c1-3-14-5-10-19-18(11-14)20(16(12-22)13-23-19)24-17-8-6-15(7-9-17)21(25)26-4-2/h5-11,13H,3-4H2,1-2H3,(H,23,24)