2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanoic acid

Systemtic Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanoic acid Openeye Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanoic acid CAS Name: 2-[[1-(3-fluorophenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanoic acid IUPAC Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanoic acid Traditional Name: 2-[[1-(3-fluorophenyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butyric acid Formula: C22H24FNO4 MolecularWeight: 385.428663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC2=C(CCN(C2C3=CC(=CC=C3)F)C(=O)CC)C=C1

Isomeric SMILES

CCC(C(=O)O)OC1=CC2=C(CCN(C2C3=CC(=CC=C3)F)C(=O)CC)C=C1

InChI

InChI=1S/C22H24FNO4/c1-3-19(22(26)27)28-17-9-8-14-10-11-24(20(25)4-2)21(18(14)13-17)15-6-5-7-16(23)12-15/h5-9,12-13,19,21H,3-4,10-11H2,1-2H3,(H,26,27)