methyl 2-[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-[4-(4-fluorophenyl)-4-oxo-butanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[4-(4-fluorophenyl)-1,4-dioxobutyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-[4-(4-fluorophenyl)-4-keto-butanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C21H20FNO4 MolecularWeight: 369.386203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCN(C2)C(=O)CCC(=O)C3=CC=C(C=C3)F)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CCN(C2)C(=O)CCC(=O)C3=CC=C(C=C3)F)C=C1

InChI

InChI=1S/C21H20FNO4/c1-27-21(26)16-3-2-14-10-11-23(13-17(14)12-16)20(25)9-8-19(24)15-4-6-18(22)7-5-15/h2-7,12H,8-11,13H2,1H3