(4-bromanyl-2,5-dimethoxy-phenyl)methyl 3-acetamidobenzoate

Systemtic Name: (4-bromanyl-2,5-dimethoxy-phenyl)methyl 3-acetamidobenzoate Openeye Name: (4-bromo-2,5-dimethoxy-phenyl)methyl 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid (4-bromo-2,5-dimethoxyphenyl)methyl ester IUPAC Name: (4-bromo-2,5-dimethoxyphenyl)methyl 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid (4-bromo-2,5-dimethoxy-benzyl) ester Formula: C18H18BrNO5 MolecularWeight: 408.24322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC(=C(C=C2OC)Br)OC

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC(=C(C=C2OC)Br)OC

InChI

InChI=1S/C18H18BrNO5/c1-11(21)20-14-6-4-5-12(7-14)18(22)25-10-13-8-17(24-3)15(19)9-16(13)23-2/h4-9H,10H2,1-3H3,(H,20,21)