5-bromanyl-2-[2-(3,4-dimethoxyphenyl)ethanoylamino]benzoate

Systemtic Name: 5-bromanyl-2-[2-(3,4-dimethoxyphenyl)ethanoylamino]benzoate Openeye Name: 5-bromo-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate CAS Name: 5-bromo-2-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]benzoate IUPAC Name: 5-bromo-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate Traditional Name: 5-bromo-2-(homoveratroylamino)benzoate Formula: C17H15BrNO5- MolecularWeight: 393.2087

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=C(C=C(C=C2)Br)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=C(C=C(C=C2)Br)C(=O)[O-])OC

InChI

InChI=1S/C17H16BrNO5/c1-23-14-6-3-10(7-15(14)24-2)8-16(20)19-13-5-4-11(18)9-12(13)17(21)22/h3-7,9H,8H2,1-2H3,(H,19,20)(H,21,22)/p-1