2-[4-[3-bromanyl-4-(2-methylpropanoylamino)phenoxy]-3-chloranyl-phenyl]-3-chloranyl-propanoic acid

Systemtic Name: 2-[4-[3-bromanyl-4-(2-methylpropanoylamino)phenoxy]-3-chloranyl-phenyl]-3-chloranyl-propanoic acid Openeye Name: 2-[4-[3-bromo-4-(2-methylpropanoylamino)phenoxy]-3-chloro-phenyl]-3-chloro-propanoic acid CAS Name: 2-[4-[3-bromo-4-[(2-methyl-1-oxopropyl)amino]phenoxy]-3-chlorophenyl]-3-chloropropanoic acid IUPAC Name: 2-[4-[3-bromo-4-(2-methylpropanoylamino)phenoxy]-3-chlorophenyl]-3-chloropropanoic acid Traditional Name: 2-[4-[3-bromo-4-(isobutyrylamino)phenoxy]-3-chloro-phenyl]-3-chloro-propionic acid Formula: C19H18BrCl2NO4 MolecularWeight: 475.16052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(CCl)C(=O)O)Cl)Br

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(CCl)C(=O)O)Cl)Br

InChI

InChI=1S/C19H18BrCl2NO4/c1-10(2)18(24)23-16-5-4-12(8-14(16)20)27-17-6-3-11(7-15(17)22)13(9-21)19(25)26/h3-8,10,13H,9H2,1-2H3,(H,23,24)(H,25,26)