methyl 4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl)benzoate Openeye Name: methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)benzoate CAS Name: 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)N)C#N)C3=CC=C(C=C3)C(=O)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)N)C#N)C3=CC=C(C=C3)C(=O)OC)C(=O)C1)C

InChI

InChI=1S/C20H21N3O3/c1-20(2)8-14-17(15(24)9-20)16(13(10-21)18(22)23-14)11-4-6-12(7-5-11)19(25)26-3/h4-7,16,23H,8-9,22H2,1-3H3