tert-butyl 6-azanyl-4-(2-chloranyl-7-methoxy-quinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: tert-butyl 6-azanyl-4-(2-chloranyl-7-methoxy-quinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: tert-butyl 6-amino-4-(2-chloro-7-methoxy-3-quinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(2-chloro-7-methoxy-3-quinolinyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-4-(2-chloro-7-methoxyquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(2-chloro-7-methoxy-3-quinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid tert-butyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=C(N=C3C=C(C=CC3=C2)OC)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=C(N=C3C=C(C=CC3=C2)OC)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H22ClN3O4/c1-11-17(21(27)30-22(2,3)4)18(15(10-24)20(25)29-11)14-8-12-6-7-13(28-5)9-16(12)26-19(14)23/h6-9,18H,25H2,1-5H3