4-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]butanoic acid

Systemtic Name: 4-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]butanoic acid Openeye Name: 4-[(2-bromo-5-methoxy-benzoyl)amino]butanoic acid CAS Name: 4-[[(2-bromo-5-methoxyphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(2-bromo-5-methoxybenzoyl)amino]butanoic acid Traditional Name: 4-[(2-bromo-5-methoxy-benzoyl)amino]butyric acid Formula: C12H14BrNO4 MolecularWeight: 316.14786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NCCCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NCCCC(=O)O

InChI

InChI=1S/C12H14BrNO4/c1-18-8-4-5-10(13)9(7-8)12(17)14-6-2-3-11(15)16/h4-5,7H,2-3,6H2,1H3,(H,14,17)(H,15,16)