5-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[1-(3-fluorophenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[1-(3-fluorophenyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-2-furoic acid Formula: C24H22FNO5 MolecularWeight: 423.433583

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1C3=CC(=CC=C3)F)C=C(C=C2)OCC4=CC=C(O4)C(=O)O

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC(=CC=C3)F)C=C(C=C2)OCC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C24H22FNO5/c1-2-22(27)26-11-10-15-6-7-18(30-14-19-8-9-21(31-19)24(28)29)13-20(15)23(26)16-4-3-5-17(25)12-16/h3-9,12-13,23H,2,10-11,14H2,1H3,(H,28,29)