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

Systemtic Name: 1-[4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]cyclobutane-1-carboxylic acid Openeye Name: 1-[4-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]phenyl]cyclobutanecarboxylic acid CAS Name: 1-[4-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]phenyl]-1-cyclobutanecarboxylic acid IUPAC Name: 1-[4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]cyclobutane-1-carboxylic acid Traditional Name: 1-[4-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]phenyl]cyclobutanecarboxylic acid Formula: C30H29NO4S MolecularWeight: 499.62056

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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)C5(CCC5)C(=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)C5(CCC5)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C30H29NO4S/c1-29(2,36(3,34)35)25-18-23-9-5-16-31-27(23)26(19-25)22-8-4-7-21(17-22)20-10-12-24(13-11-20)30(28(32)33)14-6-15-30/h4-5,7-13,16-19H,6,14-15H2,1-3H3,(H,32,33)