(E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-8-methyl-quinolin-3-yl]hept-6-ene-1,3,5-triol

Systemtic Name: (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-8-methyl-quinolin-3-yl]hept-6-ene-1,3,5-triol Openeye Name: (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-8-methyl-3-quinolyl]hept-6-ene-1,3,5-triol CAS Name: (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-8-methyl-3-quinolinyl]-6-heptene-1,3,5-triol IUPAC Name: (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-8-methylquinolin-3-yl]hept-6-ene-1,3,5-triol Traditional Name: (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-8-methyl-3-quinolyl]hept-6-ene-1,3,5-triol Formula: C26H28FNO3 MolecularWeight: 421.503823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)C3CC3)C=CC(CC(CCO)O)O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)C3CC3)/C=C/C(CC(CCO)O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H28FNO3/c1-16-3-2-4-22-24(17-7-9-19(27)10-8-17)23(26(18-5-6-18)28-25(16)22)12-11-20(30)15-21(31)13-14-29/h2-4,7-12,18,20-21,29-31H,5-6,13-15H2,1H3/b12-11+