2-[4-(4-fluorophenyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl]prop-2-enoic acid

Systemtic Name: 2-[4-(4-fluorophenyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl]prop-2-enoic acid Openeye Name: 2-[4-(4-fluorophenyl)-2-isopropyl-1-oxo-3-isoquinolyl]prop-2-enoic acid CAS Name: 2-[4-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3-isoquinolinyl]-2-propenoic acid IUPAC Name: 2-[4-(4-fluorophenyl)-1-oxo-2-propan-2-ylisoquinolin-3-yl]prop-2-enoic acid Traditional Name: 2-[4-(4-fluorophenyl)-2-isopropyl-1-keto-3-isoquinolyl]acrylic acid Formula: C21H18FNO3 MolecularWeight: 351.370923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)C(=C)C(=O)O

Isomeric SMILES

CC(C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)C(=C)C(=O)O

InChI

InChI=1S/C21H18FNO3/c1-12(2)23-19(13(3)21(25)26)18(14-8-10-15(22)11-9-14)16-6-4-5-7-17(16)20(23)24/h4-12H,3H2,1-2H3,(H,25,26)