2-[4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[4-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]phenyl]cyclopropanecarboxylic acid CAS Name: 2-[4-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]phenyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[4-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]phenyl]cyclopropanecarboxylic acid Formula: C29H27NO4S MolecularWeight: 485.59398

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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)C5CC5C(=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)C5CC5C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C29H27NO4S/c1-29(2,35(3,33)34)23-15-22-8-5-13-30-27(22)25(16-23)21-7-4-6-20(14-21)18-9-11-19(12-10-18)24-17-26(24)28(31)32/h4-16,24,26H,17H2,1-3H3,(H,31,32)