(4-bromanyl-2-chloranyl-phenyl) 3-acetamido-3-(4-methylphenyl)propanoate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 3-acetamido-3-(4-methylphenyl)propanoate Openeye Name: (4-bromo-2-chloro-phenyl) 3-acetamido-3-(p-tolyl)propanoate CAS Name: 3-acetamido-3-(4-methylphenyl)propanoic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 3-acetamido-3-(4-methylphenyl)propanoate Traditional Name: 3-acetamido-3-(p-tolyl)propionic acid (4-bromo-2-chloro-phenyl) ester Formula: C18H17BrClNO3 MolecularWeight: 410.68948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC2=C(C=C(C=C2)Br)Cl)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC2=C(C=C(C=C2)Br)Cl)NC(=O)C

InChI

InChI=1S/C18H17BrClNO3/c1-11-3-5-13(6-4-11)16(21-12(2)22)10-18(23)24-17-8-7-14(19)9-15(17)20/h3-9,16H,10H2,1-2H3,(H,21,22)