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

Systemtic Name: methyl 4-(3-cyano-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl)benzoate Openeye Name: methyl 4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)benzoate CAS Name: 4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)benzoate Traditional Name: 4-(3-cyano-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinolin-4-yl)benzoic acid methyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C#N

InChI

InChI=1S/C21H22N2O3/c1-12-15(11-22)18(13-5-7-14(8-6-13)20(25)26-4)19-16(23-12)9-21(2,3)10-17(19)24/h5-8,18,23H,9-10H2,1-4H3