[4-(3-cyano-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl)phenyl] ethanoate

Systemtic Name: [4-(3-cyano-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl)phenyl] ethanoate Openeye Name: [4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)phenyl] acetate CAS Name: acetic acid [4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)phenyl] ester IUPAC Name: [4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)phenyl] acetate Traditional Name: acetic acid [4-(3-cyano-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinolin-4-yl)phenyl] 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)OC(=O)C)C#N

Isomeric SMILES

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

InChI

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