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

Systemtic Name: ethyl 6-azanyl-4-(2-chloranyl-6-ethyl-quinolin-3-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(2-chloro-6-ethyl-3-quinolyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(2-chloro-6-ethyl-3-quinolinyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(2-chloro-6-ethylquinolin-3-yl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(2-chloro-6-ethyl-3-quinolyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H19Cl2N3O3 MolecularWeight: 432.29986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC(=C(N=C2C=C1)Cl)C3C(=C(OC(=C3C(=O)OCC)CCl)N)C#N

Isomeric SMILES

CCC1=CC2=CC(=C(N=C2C=C1)Cl)C3C(=C(OC(=C3C(=O)OCC)CCl)N)C#N

InChI

InChI=1S/C21H19Cl2N3O3/c1-3-11-5-6-15-12(7-11)8-13(19(23)26-15)17-14(10-24)20(25)29-16(9-22)18(17)21(27)28-4-2/h5-8,17H,3-4,9,25H2,1-2H3