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

Systemtic Name: 2-methyl-3-[3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]propanoic acid Openeye Name: 2-methyl-3-[3-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]phenyl]propanoic acid CAS Name: 2-methyl-3-[3-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]phenyl]propanoic acid IUPAC Name: 2-methyl-3-[3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]propanoic acid Traditional Name: 3-[3-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]phenyl]-2-methyl-propionic acid Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC(=C1)C2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)C(=O)O

Isomeric SMILES

CC(CC1=CC=CC(=C1)C2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)C(=O)O

InChI

InChI=1S/C29H29NO4S/c1-19(28(31)32)14-20-8-5-9-21(15-20)22-10-6-11-23(16-22)26-18-25(29(2,3)35(4,33)34)17-24-12-7-13-30-27(24)26/h5-13,15-19H,14H2,1-4H3,(H,31,32)