methyl 2-benzamido-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoate

Systemtic Name: methyl 2-benzamido-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoate Openeye Name: methyl 2-benzamido-3-(3,5-dibromo-4-hydroxy-phenyl)propanoate CAS Name: 2-benzamido-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-benzamido-3-(3,5-dibromo-4-hydroxyphenyl)propanoate Traditional Name: 2-benzamido-3-(3,5-dibromo-4-hydroxy-phenyl)propionic acid methyl ester Formula: C17H15Br2NO4 MolecularWeight: 457.1133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C(=C1)Br)O)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CC(=C(C(=C1)Br)O)Br)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H15Br2NO4/c1-24-17(23)14(20-16(22)11-5-3-2-4-6-11)9-10-7-12(18)15(21)13(19)8-10/h2-8,14,21H,9H2,1H3,(H,20,22)