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

Systemtic Name: 2-methyl-3-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanoic acid Openeye Name: 2-[3-(6-isopropyl-8-quinolyl)phenyl]-2-methyl-3-(4-methylsulfonylphenyl)propanoic acid CAS Name: 2-methyl-3-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-yl-8-quinolinyl)phenyl]propanoic acid IUPAC Name: 2-methyl-3-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanoic acid Traditional Name: 2-[3-(6-isopropyl-8-quinolyl)phenyl]-3-(4-mesylphenyl)-2-methyl-propionic acid Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(C)(CC4=CC=C(C=C4)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(C)(CC4=CC=C(C=C4)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C29H29NO4S/c1-19(2)23-15-22-8-6-14-30-27(22)26(17-23)21-7-5-9-24(16-21)29(3,28(31)32)18-20-10-12-25(13-11-20)35(4,33)34/h5-17,19H,18H2,1-4H3,(H,31,32)