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

Systemtic Name: 3-(3-cyanophenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanoic acid Openeye Name: 3-(3-cyanophenyl)-2-[3-(6-isopropyl-8-quinolyl)phenyl]propanoic acid CAS Name: 3-(3-cyanophenyl)-2-[3-(6-propan-2-yl-8-quinolinyl)phenyl]propanoic acid IUPAC Name: 3-(3-cyanophenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]propanoic acid Traditional Name: 3-(3-cyanophenyl)-2-[3-(6-isopropyl-8-quinolyl)phenyl]propionic acid Formula: C28H24N2O2 MolecularWeight: 420.50236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O2/c1-18(2)24-15-23-10-5-11-30-27(23)25(16-24)21-8-4-9-22(14-21)26(28(31)32)13-19-6-3-7-20(12-19)17-29/h3-12,14-16,18,26H,13H2,1-2H3,(H,31,32)