3-[4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]propanoic acid Openeye Name: 3-[4-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]phenyl]propionic acid Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=CC=C(C=C4)CCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=CC=C(C=C4)CCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C28H27NO4S/c1-28(2,34(3,32)33)24-17-23-8-5-15-29-27(23)25(18-24)22-7-4-6-21(16-22)20-12-9-19(10-13-20)11-14-26(30)31/h4-10,12-13,15-18H,11,14H2,1-3H3,(H,30,31)