2-fluoranyl-4-[2-methyl-4-[(3-phenyl-1-thiophen-2-yl-propoxy)methyl]phenyl]benzoic acid

Systemtic Name: 2-fluoranyl-4-[2-methyl-4-[(3-phenyl-1-thiophen-2-yl-propoxy)methyl]phenyl]benzoic acid Openeye Name: 2-fluoro-4-[2-methyl-4-[[3-phenyl-1-(2-thienyl)propoxy]methyl]phenyl]benzoic acid CAS Name: 2-fluoro-4-[2-methyl-4-[(3-phenyl-1-thiophen-2-ylpropoxy)methyl]phenyl]benzoic acid IUPAC Name: 2-fluoro-4-[2-methyl-4-[(3-phenyl-1-thiophen-2-ylpropoxy)methyl]phenyl]benzoic acid Traditional Name: 2-fluoro-4-[2-methyl-4-[[3-phenyl-1-(2-thienyl)propoxy]methyl]phenyl]benzoic acid Formula: C28H25FO3S MolecularWeight: 460.559703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COC(CCC2=CC=CC=C2)C3=CC=CS3)C4=CC(=C(C=C4)C(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)COC(CCC2=CC=CC=C2)C3=CC=CS3)C4=CC(=C(C=C4)C(=O)O)F

InChI

InChI=1S/C28H25FO3S/c1-19-16-21(9-12-23(19)22-11-13-24(28(30)31)25(29)17-22)18-32-26(27-8-5-15-33-27)14-10-20-6-3-2-4-7-20/h2-9,11-13,15-17,26H,10,14,18H2,1H3,(H,30,31)