ethyl 5-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-oxo-pentanoate CAS Name: 5-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-oxopentanoate Traditional Name: 5-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-keto-valeric acid ethyl ester Formula: C22H24FNO3 MolecularWeight: 369.429263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FNO3/c1-2-27-21(26)9-5-8-20(25)24-15-14-16-6-3-4-7-19(16)22(24)17-10-12-18(23)13-11-17/h3-4,6-7,10-13,22H,2,5,8-9,14-15H2,1H3