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

Systemtic Name: 2-(4-methylsulfanylphenyl)-2-phenyl-3-(6-propan-2-ylquinolin-8-yl)propanoic acid Openeye Name: 3-(6-isopropyl-8-quinolyl)-2-(4-methylsulfanylphenyl)-2-phenyl-propanoic acid CAS Name: 2-[4-(methylthio)phenyl]-2-phenyl-3-(6-propan-2-yl-8-quinolinyl)propanoic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-2-phenyl-3-(6-propan-2-ylquinolin-8-yl)propanoic acid Traditional Name: 3-(6-isopropyl-8-quinolyl)-2-[4-(methylthio)phenyl]-2-phenyl-propionic acid Formula: C28H27NO2S MolecularWeight: 441.58448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO2S/c1-19(2)21-16-20-8-7-15-29-26(20)22(17-21)18-28(27(30)31,23-9-5-4-6-10-23)24-11-13-25(32-3)14-12-24/h4-17,19H,18H2,1-3H3,(H,30,31)