2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-oxazole-4-carboxylic acid

Systemtic Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-oxazole-4-carboxylic acid Openeye Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]oxazole-4-carboxylic acid CAS Name: 2-[[1-(3-fluorophenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-4-oxazolecarboxylic acid IUPAC Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-oxazole-4-carboxylic acid Traditional Name: 2-[[1-(3-fluorophenyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]oxazole-4-carboxylic acid Formula: C23H21FN2O5 MolecularWeight: 424.421643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1C3=CC(=CC=C3)F)C=C(C=C2)OCC4=NC(=CO4)C(=O)O

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC(=CC=C3)F)C=C(C=C2)OCC4=NC(=CO4)C(=O)O

InChI

InChI=1S/C23H21FN2O5/c1-2-21(27)26-9-8-14-6-7-17(30-13-20-25-19(12-31-20)23(28)29)11-18(14)22(26)15-4-3-5-16(24)10-15/h3-7,10-12,22H,2,8-9,13H2,1H3,(H,28,29)