3-[(3-bromophenyl)methyl-ethanoyl-amino]propanoate

Systemtic Name: 3-[(3-bromophenyl)methyl-ethanoyl-amino]propanoate Openeye Name: 3-[acetyl-[(3-bromophenyl)methyl]amino]propanoate CAS Name: 3-[acetyl-[(3-bromophenyl)methyl]amino]propanoate IUPAC Name: 3-[acetyl-[(3-bromophenyl)methyl]amino]propanoate Traditional Name: 3-[acetyl-(3-bromobenzyl)amino]propionate Formula: C12H13BrNO3- MolecularWeight: 299.14052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC(=O)[O-])CC1=CC(=CC=C1)Br

Isomeric SMILES

CC(=O)N(CCC(=O)[O-])CC1=CC(=CC=C1)Br

InChI

InChI=1S/C12H14BrNO3/c1-9(15)14(6-5-12(16)17)8-10-3-2-4-11(13)7-10/h2-4,7H,5-6,8H2,1H3,(H,16,17)/p-1