4-[4-(2-bromanylethanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-(2-bromanylethanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-[(2-bromoacetyl)amino]phenyl]butanoic acid CAS Name: 4-[4-[(2-bromo-1-oxoethyl)amino]phenyl]butanoic acid IUPAC Name: 4-[4-[(2-bromoacetyl)amino]phenyl]butanoic acid Traditional Name: 4-[4-[(2-bromoacetyl)amino]phenyl]butyric acid Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)O)NC(=O)CBr

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)O)NC(=O)CBr

InChI

InChI=1S/C12H14BrNO3/c13-8-11(15)14-10-6-4-9(5-7-10)2-1-3-12(16)17/h4-7H,1-3,8H2,(H,14,15)(H,16,17)