prop-2-enyl (4S)-6-azanyl-4-(2-chloranyl-6,7-dimethyl-quinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-6-azanyl-4-(2-chloranyl-6,7-dimethyl-quinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: allyl (4S)-6-amino-4-(2-chloro-6,7-dimethyl-3-quinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-(2-chloro-6,7-dimethyl-3-quinolinyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-6-amino-4-(2-chloro-6,7-dimethylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-(2-chloro-6,7-dimethyl-3-quinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid allyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1C)Cl)C3C(=C(OC(=C3C(=O)OCC=C)C)N)C#N

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1C)Cl)[C@H]3C(=C(OC(=C3C(=O)OCC=C)C)N)C#N

InChI

InChI=1S/C22H20ClN3O3/c1-5-6-28-22(27)18-13(4)29-21(25)16(10-24)19(18)15-9-14-7-11(2)12(3)8-17(14)26-20(15)23/h5,7-9,19H,1,6,25H2,2-4H3/t19-/m0/s1