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

Systemtic Name: 2-(4-methylsulfanylphenyl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanoic acid Openeye Name: 3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(4-methylsulfanylphenyl)propanoic acid CAS Name: 2-[4-(methylthio)phenyl]-3-[3-(6-propan-2-yl-8-quinolinyl)phenyl]propanoic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanoic acid Traditional Name: 3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-[4-(methylthio)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)C3=CC(=CC=C3)CC(C4=CC=C(C=C4)SC)C(=O)O

Isomeric SMILES

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

InChI

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