ethyl 4-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxo-butanoate CAS Name: 4-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoate Traditional Name: 4-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-keto-butyric acid ethyl ester Formula: C21H22FNO3 MolecularWeight: 355.402683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCC2=CC=CC=C2C1C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCC2=CC=CC=C2C1C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FNO3/c1-2-26-20(25)12-11-19(24)23-14-13-15-5-3-4-6-18(15)21(23)16-7-9-17(22)10-8-16/h3-10,21H,2,11-14H2,1H3