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

Systemtic Name: 3-methyl-3-[4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]butanoic acid Openeye Name: 3-methyl-3-[4-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]phenyl]butanoic acid CAS Name: 3-methyl-3-[4-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]phenyl]butanoic acid IUPAC Name: 3-methyl-3-[4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]butanoic acid Traditional Name: 3-[4-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]phenyl]-3-methyl-butyric acid Formula: C30H31NO4S MolecularWeight: 501.63644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31NO4S/c1-29(2,19-27(32)33)24-13-11-20(12-14-24)21-8-6-9-22(16-21)26-18-25(30(3,4)36(5,34)35)17-23-10-7-15-31-28(23)26/h6-18H,19H2,1-5H3,(H,32,33)