4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carboxylic acid

Systemtic Name: 4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carboxylic acid Openeye Name: 6-benzyloxy-4-(2-fluorophenyl)-2-isobutyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinecarboxylic acid IUPAC Name: 4-(2-fluorophenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxyisoquinoline-3-carboxylic acid Traditional Name: 6-benzoxy-4-(2-fluorophenyl)-2-isobutyl-1-keto-isoquinoline-3-carboxylic acid Formula: C27H24FNO4 MolecularWeight: 445.482163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4F)C(=O)O

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4F)C(=O)O

InChI

InChI=1S/C27H24FNO4/c1-17(2)15-29-25(27(31)32)24(21-10-6-7-11-23(21)28)22-14-19(12-13-20(22)26(29)30)33-16-18-8-4-3-5-9-18/h3-14,17H,15-16H2,1-2H3,(H,31,32)