methyl (E)-7-[4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-pyrimidin-5-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate

Systemtic Name: methyl (E)-7-[4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-pyrimidin-5-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: methyl (E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-phenyl-pyrimidin-5-yl]-5-hydroxy-3-oxo-hept-6-enoate CAS Name: (E)-7-[4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-5-pyrimidinyl]-5-hydroxy-3-oxo-6-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]-5-hydroxy-3-oxohept-6-enoate Traditional Name: (E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-phenyl-pyrimidin-5-yl]-5-hydroxy-3-keto-hept-6-enoic acid methyl ester Formula: C27H27FN2O4 MolecularWeight: 462.512683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1C=CC(CC(=O)CC(=O)OC)O)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=NC(=C1/C=C/C(CC(=O)CC(=O)OC)O)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C27H27FN2O4/c1-17(2)25-23(14-13-21(31)15-22(32)16-24(33)34-3)26(18-9-11-20(28)12-10-18)30-27(29-25)19-7-5-4-6-8-19/h4-14,17,21,31H,15-16H2,1-3H3/b14-13+