ethyl 6-azanyl-4-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(2-chloro-6-ethoxy-3-quinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(2-chloro-6-ethoxy-3-quinolinyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(2-chloro-6-ethoxyquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(2-chloro-6-ethoxy-3-quinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3C(=C(OC(=C3C(=O)OCC)C)N)C#N

Isomeric SMILES

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3C(=C(OC(=C3C(=O)OCC)C)N)C#N

InChI

InChI=1S/C21H20ClN3O4/c1-4-27-13-6-7-16-12(8-13)9-14(19(22)25-16)18-15(10-23)20(24)29-11(3)17(18)21(26)28-5-2/h6-9,18H,4-5,24H2,1-3H3