2-[6-bromanyl-4-(4-chlorophenyl)-2-methyl-quinolin-3-yl]-2-(cyanomethoxy)ethanoic acid

Systemtic Name: 2-[6-bromanyl-4-(4-chlorophenyl)-2-methyl-quinolin-3-yl]-2-(cyanomethoxy)ethanoic acid Openeye Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolyl]-2-(cyanomethoxy)acetic acid CAS Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolinyl]-2-(cyanomethoxy)acetic acid IUPAC Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]-2-(cyanomethoxy)acetic acid Traditional Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolyl]-2-(cyanomethoxy)acetic acid Formula: C20H14BrClN2O3 MolecularWeight: 445.69376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=C(C=C3)Cl)C(C(=O)O)OCC#N

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=C(C=C3)Cl)C(C(=O)O)OCC#N

InChI

InChI=1S/C20H14BrClN2O3/c1-11-17(19(20(25)26)27-9-8-23)18(12-2-5-14(22)6-3-12)15-10-13(21)4-7-16(15)24-11/h2-7,10,19H,9H2,1H3,(H,25,26)