tert-butyl 2-methyl-3-[3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]propanoate

Systemtic Name: tert-butyl 2-methyl-3-[3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]propanoate Openeye Name: tert-butyl 2-methyl-3-[3-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]phenyl]propanoate CAS Name: 2-methyl-3-[3-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-3-[3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]propanoate Traditional Name: 3-[3-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]phenyl]-2-methyl-propionic acid tert-butyl ester Formula: C33H37NO4S MolecularWeight: 543.71618

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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)OC(C)(C)C

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)OC(C)(C)C

InChI

InChI=1S/C33H37NO4S/c1-22(31(35)38-32(2,3)4)17-23-11-8-12-24(18-23)25-13-9-14-26(19-25)29-21-28(33(5,6)39(7,36)37)20-27-15-10-16-34-30(27)29/h8-16,18-22H,17H2,1-7H3