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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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