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

Systemtic Name: 5-bromanyl-2-[2-(3,4-dimethoxyphenyl)ethanoylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid Traditional Name: 5-bromo-2-(homoveratroylamino)benzoic acid Formula: C17H16BrNO5 MolecularWeight: 394.21664

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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)