4-[[2-(4-bromophenyl)ethanoylamino]methyl]benzoate

Systemtic Name: 4-[[2-(4-bromophenyl)ethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-(4-bromophenyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(4-bromophenyl)-1-oxoethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-(4-bromophenyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(4-bromophenyl)acetyl]amino]methyl]benzoate Formula: C16H13BrNO3- MolecularWeight: 347.18332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NCC2=CC=C(C=C2)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NCC2=CC=C(C=C2)C(=O)[O-])Br

InChI

InChI=1S/C16H14BrNO3/c17-14-7-3-11(4-8-14)9-15(19)18-10-12-1-5-13(6-2-12)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)/p-1