7-methyl-6-methylidene-3,5-bis(oxidanyl)-2-propan-2-yl-2-(4-pyridin-4-ylpyrimidin-5-yl)octanoic acid

Systemtic Name: 7-methyl-6-methylidene-3,5-bis(oxidanyl)-2-propan-2-yl-2-(4-pyridin-4-ylpyrimidin-5-yl)octanoic acid Openeye Name: 3,5-dihydroxy-2-isopropyl-7-methyl-6-methylene-2-[4-(4-pyridyl)pyrimidin-5-yl]octanoic acid CAS Name: 3,5-dihydroxy-7-methyl-6-methylene-2-propan-2-yl-2-(4-pyridin-4-yl-5-pyrimidinyl)octanoic acid IUPAC Name: 3,5-dihydroxy-7-methyl-6-methylidene-2-propan-2-yl-2-(4-pyridin-4-ylpyrimidin-5-yl)octanoic acid Traditional Name: 3,5-dihydroxy-2,6-diisopropyl-2-[4-(4-pyridyl)pyrimidin-5-yl]hept-6-enoic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C)C(CC(C(C1=CN=CN=C1C2=CC=NC=C2)(C(C)C)C(=O)O)O)O

Isomeric SMILES

CC(C)C(=C)C(CC(C(C1=CN=CN=C1C2=CC=NC=C2)(C(C)C)C(=O)O)O)O

InChI

InChI=1S/C22H29N3O4/c1-13(2)15(5)18(26)10-19(27)22(14(3)4,21(28)29)17-11-24-12-25-20(17)16-6-8-23-9-7-16/h6-9,11-14,18-19,26-27H,5,10H2,1-4H3,(H,28,29)