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

Systemtic Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethanoic acid Openeye Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid CAS Name: 2-[[1-(3-fluorophenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid IUPAC Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid Traditional Name: 2-[[1-(3-fluorophenyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid Formula: C20H20FNO4 MolecularWeight: 357.375503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1C3=CC(=CC=C3)F)C=C(C=C2)OCC(=O)O

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC(=CC=C3)F)C=C(C=C2)OCC(=O)O

InChI

InChI=1S/C20H20FNO4/c1-2-18(23)22-9-8-13-6-7-16(26-12-19(24)25)11-17(13)20(22)14-4-3-5-15(21)10-14/h3-7,10-11,20H,2,8-9,12H2,1H3,(H,24,25)