ethyl (E)-7-[5,6-bis(4-fluorophenyl)-3-propan-2-yl-pyridazin-4-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate

Systemtic Name: ethyl (E)-7-[5,6-bis(4-fluorophenyl)-3-propan-2-yl-pyridazin-4-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: ethyl (E)-7-[5,6-bis(4-fluorophenyl)-3-isopropyl-pyridazin-4-yl]-5-hydroxy-3-oxo-hept-6-enoate CAS Name: (E)-7-[5,6-bis(4-fluorophenyl)-3-propan-2-yl-4-pyridazinyl]-5-hydroxy-3-oxo-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]-5-hydroxy-3-oxohept-6-enoate Traditional Name: (E)-7-[5,6-bis(4-fluorophenyl)-3-isopropyl-pyridazin-4-yl]-5-hydroxy-3-keto-hept-6-enoic acid ethyl ester Formula: C28H28F2N2O4 MolecularWeight: 494.529726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CC(C=CC1=C(C(=NN=C1C(C)C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)O

Isomeric SMILES

CCOC(=O)CC(=O)CC(/C=C/C1=C(C(=NN=C1C(C)C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C28H28F2N2O4/c1-4-36-25(35)16-23(34)15-22(33)13-14-24-26(18-5-9-20(29)10-6-18)28(32-31-27(24)17(2)3)19-7-11-21(30)12-8-19/h5-14,17,22,33H,4,15-16H2,1-3H3/b14-13+