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

Systemtic Name: 2-[[1-(4-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[1-(4-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxylic acid CAS Name: 2-[[1-(4-fluorophenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[1-(4-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[1-(4-fluorophenyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxylic acid Formula: C23H21FN2O4S MolecularWeight: 440.487243

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)OCC4=NC(=CS4)C(=O)O

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)OCC4=NC(=CS4)C(=O)O

InChI

InChI=1S/C23H21FN2O4S/c1-2-21(27)26-10-9-14-5-8-17(30-12-20-25-19(13-31-20)23(28)29)11-18(14)22(26)15-3-6-16(24)7-4-15/h3-8,11,13,22H,2,9-10,12H2,1H3,(H,28,29)