2-fluoranyl-5-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]benzoic acid

Systemtic Name: 2-fluoranyl-5-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]benzoic acid Openeye Name: 2-fluoro-5-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]benzoic acid CAS Name: 2-fluoro-5-[4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]benzoic acid IUPAC Name: 2-fluoro-5-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzoic acid Traditional Name: 2-fluoro-5-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]benzoic acid Formula: C23H22FNO4 MolecularWeight: 395.423483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CN=CC=C1)O)OC2=CC=C(C=C2)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

CC(C(CCC1=CN=CC=C1)O)OC2=CC=C(C=C2)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C23H22FNO4/c1-15(22(26)11-4-16-3-2-12-25-14-16)29-19-8-5-17(6-9-19)18-7-10-21(24)20(13-18)23(27)28/h2-3,5-10,12-15,22,26H,4,11H2,1H3,(H,27,28)