3-(4-methylsulfonylphenyl)-2-phenyl-3-(6-propan-2-ylquinolin-8-yl)propanoic acid

Systemtic Name: 3-(4-methylsulfonylphenyl)-2-phenyl-3-(6-propan-2-ylquinolin-8-yl)propanoic acid Openeye Name: 3-(6-isopropyl-8-quinolyl)-3-(4-methylsulfonylphenyl)-2-phenyl-propanoic acid CAS Name: 3-(4-methylsulfonylphenyl)-2-phenyl-3-(6-propan-2-yl-8-quinolinyl)propanoic acid IUPAC Name: 3-(4-methylsulfonylphenyl)-2-phenyl-3-(6-propan-2-ylquinolin-8-yl)propanoic acid Traditional Name: 3-(6-isopropyl-8-quinolyl)-3-(4-mesylphenyl)-2-phenyl-propionic acid Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C(C3=CC=C(C=C3)S(=O)(=O)C)C(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C(C3=CC=C(C=C3)S(=O)(=O)C)C(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H27NO4S/c1-18(2)22-16-21-10-7-15-29-27(21)24(17-22)25(20-11-13-23(14-12-20)34(3,32)33)26(28(30)31)19-8-5-4-6-9-19/h4-18,25-26H,1-3H3,(H,30,31)