8-(hydroxymethyl)-2-[(4-methylcyclohexyl)-propan-2-yl-amino]-7-(trifluoromethyl)dibenzofuran-3-carboxylic acid

Systemtic Name: 8-(hydroxymethyl)-2-[(4-methylcyclohexyl)-propan-2-yl-amino]-7-(trifluoromethyl)dibenzofuran-3-carboxylic acid Openeye Name: 8-(hydroxymethyl)-2-[isopropyl-(4-methylcyclohexyl)amino]-7-(trifluoromethyl)dibenzofuran-3-carboxylic acid CAS Name: 8-(hydroxymethyl)-2-[(4-methylcyclohexyl)-propan-2-ylamino]-7-(trifluoromethyl)-3-dibenzofurancarboxylic acid IUPAC Name: 8-(hydroxymethyl)-2-[(4-methylcyclohexyl)-propan-2-ylamino]-7-(trifluoromethyl)dibenzofuran-3-carboxylic acid Traditional Name: 2-[isopropyl-(4-methylcyclohexyl)amino]-8-methylol-7-(trifluoromethyl)dibenzofuran-3-carboxylic acid Formula: C25H28F3NO4 MolecularWeight: 463.48933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C2=C(C=C3C(=C2)C4=CC(=C(C=C4O3)C(F)(F)F)CO)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)N(C2=C(C=C3C(=C2)C4=CC(=C(C=C4O3)C(F)(F)F)CO)C(=O)O)C(C)C

InChI

InChI=1S/C25H28F3NO4/c1-13(2)29(16-6-4-14(3)5-7-16)21-9-18-17-8-15(12-30)20(25(26,27)28)11-23(17)33-22(18)10-19(21)24(31)32/h8-11,13-14,16,30H,4-7,12H2,1-3H3,(H,31,32)