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

Systemtic Name: [4-[(4R)-3-cyano-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinolin-4-yl]phenyl] ethanoate Openeye Name: [4-[(4R)-3-cyano-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]phenyl] acetate CAS Name: acetic acid [4-[(4R)-3-cyano-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]phenyl] ester IUPAC Name: [4-[(4R)-3-cyano-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]phenyl] acetate Traditional Name: acetic acid [4-[(4R)-3-cyano-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinolin-4-yl]phenyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C#N)C3=CC=C(C=C3)OC(=O)C)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C#N)C3=CC=C(C=C3)OC(=O)C)C(=O)CC(C2)(C)C

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/h5-8,16,19H,9-10H2,1-4H3/t16?,19-/m0/s1