methyl 3-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]benzoate

Systemtic Name: methyl 3-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]benzoate Openeye Name: methyl 3-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]benzoate CAS Name: 3-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]benzoate Traditional Name: 3-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]benzoic acid methyl ester Formula: C19H20BrNO5 MolecularWeight: 422.2698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCC(=O)NC2=CC=CC(=C2)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCC(=O)NC2=CC=CC(=C2)C(=O)OC)Br)OC

InChI

InChI=1S/C19H20BrNO5/c1-24-16-10-12(15(20)11-17(16)25-2)7-8-18(22)21-14-6-4-5-13(9-14)19(23)26-3/h4-6,9-11H,7-8H2,1-3H3,(H,21,22)