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

Systemtic Name: 2-[6-bromanyl-4-(4-chlorophenyl)-2-methyl-quinolin-3-yl]-2-but-2-ynoxy-ethanoic acid Openeye Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolyl]-2-but-2-ynoxy-acetic acid CAS Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolinyl]-2-but-2-ynoxyacetic acid IUPAC Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]-2-but-2-ynoxyacetic acid Traditional Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolyl]-2-but-2-ynoxy-acetic acid Formula: C22H17BrClNO3 MolecularWeight: 458.73228

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(C1=C(N=C2C=CC(=CC2=C1C3=CC=C(C=C3)Cl)Br)C)C(=O)O

Isomeric SMILES

CC#CCOC(C1=C(N=C2C=CC(=CC2=C1C3=CC=C(C=C3)Cl)Br)C)C(=O)O

InChI

InChI=1S/C22H17BrClNO3/c1-3-4-11-28-21(22(26)27)19-13(2)25-18-10-7-15(23)12-17(18)20(19)14-5-8-16(24)9-6-14/h5-10,12,21H,11H2,1-2H3,(H,26,27)