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

Systemtic Name: 2-[6-bromanyl-4-(4-chlorophenyl)-2-methyl-quinolin-3-yl]-2-prop-2-ynoxy-ethanoic acid Openeye Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolyl]-2-prop-2-ynoxy-acetic acid CAS Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolinyl]-2-prop-2-ynoxyacetic acid IUPAC Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl]-2-prop-2-ynoxyacetic acid Traditional Name: 2-[6-bromo-4-(4-chlorophenyl)-2-methyl-3-quinolyl]-2-propargyloxy-acetic acid Formula: C21H15BrClNO3 MolecularWeight: 444.7057

Click to see the large picture

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#C

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrClNO3/c1-3-10-27-20(21(25)26)18-12(2)24-17-9-6-14(22)11-16(17)19(18)13-4-7-15(23)8-5-13/h1,4-9,11,20H,10H2,2H3,(H,25,26)