2-[(E)-4-(4-fluorophenyl)-2-oxidanyl-2-propan-2-yl-but-3-enyl]-2-oxidanyl-1-pyrazolo[1,5-a]pyrimidin-6-yl-cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(E)-4-(4-fluorophenyl)-2-oxidanyl-2-propan-2-yl-but-3-enyl]-2-oxidanyl-1-pyrazolo[1,5-a]pyrimidin-6-yl-cyclohexane-1-carboxylic acid Openeye Name: 2-[(E)-4-(4-fluorophenyl)-2-hydroxy-2-isopropyl-but-3-enyl]-2-hydroxy-1-pyrazolo[1,5-a]pyrimidin-6-yl-cyclohexanecarboxylic acid CAS Name: 2-[(E)-4-(4-fluorophenyl)-2-hydroxy-2-propan-2-ylbut-3-enyl]-2-hydroxy-1-(6-pyrazolo[1,5-a]pyrimidinyl)-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(E)-4-(4-fluorophenyl)-2-hydroxy-2-propan-2-ylbut-3-enyl]-2-hydroxy-1-pyrazolo[1,5-a]pyrimidin-6-ylcyclohexane-1-carboxylic acid Traditional Name: 2-[(E)-4-(4-fluorophenyl)-2-hydroxy-2-isopropyl-but-3-enyl]-2-hydroxy-1-pyrazolo[1,5-a]pyrimidin-6-yl-cyclohexanecarboxylic acid Formula: C26H30FN3O4 MolecularWeight: 467.532503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1(CCCCC1(C2=CN3C(=CC=N3)N=C2)C(=O)O)O)(C=CC4=CC=C(C=C4)F)O

Isomeric SMILES

CC(C)C(CC1(CCCCC1(C2=CN3C(=CC=N3)N=C2)C(=O)O)O)(/C=C/C4=CC=C(C=C4)F)O

InChI

InChI=1S/C26H30FN3O4/c1-18(2)24(33,13-9-19-5-7-21(27)8-6-19)17-25(34)11-3-4-12-26(25,23(31)32)20-15-28-22-10-14-29-30(22)16-20/h5-10,13-16,18,33-34H,3-4,11-12,17H2,1-2H3,(H,31,32)/b13-9+