prop-2-enyl (4S)-6-azanyl-4-(2-chloranyl-7,8-dimethyl-quinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-6-azanyl-4-(2-chloranyl-7,8-dimethyl-quinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: allyl (4S)-6-amino-4-(2-chloro-7,8-dimethyl-3-quinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-(2-chloro-7,8-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-7,8-dimethylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-(2-chloro-7,8-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=C(C2=NC(=C(C=C2C=C1)C3C(=C(OC(=C3C(=O)OCC=C)C)N)C#N)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)[C@H]3C(=C(OC(=C3C(=O)OCC=C)C)N)C#N)Cl)C

InChI

InChI=1S/C22H20ClN3O3/c1-5-8-28-22(27)17-13(4)29-21(25)16(10-24)18(17)15-9-14-7-6-11(2)12(3)19(14)26-20(15)23/h5-7,9,18H,1,8,25H2,2-4H3/t18-/m0/s1