(E)-7-[4-(2-fluorophenyl)-5-propan-2-yl-2-pyrimidin-2-yl-3H-pyrazol-4-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid

Systemtic Name: (E)-7-[4-(2-fluorophenyl)-5-propan-2-yl-2-pyrimidin-2-yl-3H-pyrazol-4-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid Openeye Name: (E)-7-[4-(2-fluorophenyl)-5-isopropyl-2-pyrimidin-2-yl-3H-pyrazol-4-yl]-5-hydroxy-3-oxo-hept-6-enoic acid CAS Name: (E)-7-[4-(2-fluorophenyl)-5-propan-2-yl-2-(2-pyrimidinyl)-3H-pyrazol-4-yl]-5-hydroxy-3-oxo-6-heptenoic acid IUPAC Name: (E)-7-[4-(2-fluorophenyl)-5-propan-2-yl-2-pyrimidin-2-yl-3H-pyrazol-4-yl]-5-hydroxy-3-oxohept-6-enoic acid Traditional Name: (E)-7-[4-(2-fluorophenyl)-3-isopropyl-1-(2-pyrimidyl)-2-pyrazolin-4-yl]-5-hydroxy-3-keto-hept-6-enoic acid Formula: C23H25FN4O4 MolecularWeight: 440.467403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(CC1(C=CC(CC(=O)CC(=O)O)O)C2=CC=CC=C2F)C3=NC=CC=N3

Isomeric SMILES

CC(C)C1=NN(CC1(/C=C/C(CC(=O)CC(=O)O)O)C2=CC=CC=C2F)C3=NC=CC=N3

InChI

InChI=1S/C23H25FN4O4/c1-15(2)21-23(18-6-3-4-7-19(18)24,9-8-16(29)12-17(30)13-20(31)32)14-28(27-21)22-25-10-5-11-26-22/h3-11,15-16,29H,12-14H2,1-2H3,(H,31,32)/b9-8+