2-[2,2-bis(fluoranyl)-2-[4-(4-methoxyphenyl)phenyl]ethyl]-4-oxidanyl-5-(1-phenylimidazol-2-yl)sulfanyl-pentanoic acid

Systemtic Name: 2-[2,2-bis(fluoranyl)-2-[4-(4-methoxyphenyl)phenyl]ethyl]-4-oxidanyl-5-(1-phenylimidazol-2-yl)sulfanyl-pentanoic acid Openeye Name: 2-[2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]ethyl]-4-hydroxy-5-(1-phenylimidazol-2-yl)sulfanyl-pentanoic acid CAS Name: 2-[2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]ethyl]-4-hydroxy-5-[(1-phenyl-2-imidazolyl)thio]pentanoic acid IUPAC Name: 2-[2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]ethyl]-4-hydroxy-5-(1-phenylimidazol-2-yl)sulfanylpentanoic acid Traditional Name: 2-[2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]ethyl]-4-hydroxy-5-[(1-phenylimidazol-2-yl)thio]valeric acid Formula: C29H28F2N2O4S MolecularWeight: 538.605426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(CC(CSC3=NC=CN3C4=CC=CC=C4)O)C(=O)O)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(CC(CSC3=NC=CN3C4=CC=CC=C4)O)C(=O)O)(F)F

InChI

InChI=1S/C29H28F2N2O4S/c1-37-26-13-9-21(10-14-26)20-7-11-23(12-8-20)29(30,31)18-22(27(35)36)17-25(34)19-38-28-32-15-16-33(28)24-5-3-2-4-6-24/h2-16,22,25,34H,17-19H2,1H3,(H,35,36)