7-[4-(4-fluorophenyl)-6-phenyl-2-propan-2-yl-pyridin-3-yl]-2,2-bis(oxidanyl)hept-6-ynoic acid

Systemtic Name: 7-[4-(4-fluorophenyl)-6-phenyl-2-propan-2-yl-pyridin-3-yl]-2,2-bis(oxidanyl)hept-6-ynoic acid Openeye Name: 7-[4-(4-fluorophenyl)-2-isopropyl-6-phenyl-3-pyridyl]-2,2-dihydroxy-hept-6-ynoic acid CAS Name: 7-[4-(4-fluorophenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]-2,2-dihydroxy-6-heptynoic acid IUPAC Name: 7-[4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridin-3-yl]-2,2-dihydroxyhept-6-ynoic acid Traditional Name: 7-[4-(4-fluorophenyl)-2-isopropyl-6-phenyl-3-pyridyl]-2,2-dihydroxy-hept-6-ynoic acid Formula: C27H26FNO4 MolecularWeight: 447.498043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)F)C#CCCCC(C(=O)O)(O)O

Isomeric SMILES

CC(C)C1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)F)C#CCCCC(C(=O)O)(O)O

InChI

InChI=1S/C27H26FNO4/c1-18(2)25-22(11-7-4-8-16-27(32,33)26(30)31)23(19-12-14-21(28)15-13-19)17-24(29-25)20-9-5-3-6-10-20/h3,5-6,9-10,12-15,17-18,32-33H,4,8,16H2,1-2H3,(H,30,31)