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

Systemtic Name: 4-[(4-bromanyl-2-methyl-phenyl)carbonylamino]butanoic acid Openeye Name: 4-[(4-bromo-2-methyl-benzoyl)amino]butanoic acid CAS Name: 4-[[(4-bromo-2-methylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(4-bromo-2-methylbenzoyl)amino]butanoic acid Traditional Name: 4-[(4-bromo-2-methyl-benzoyl)amino]butyric acid Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(=O)NCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C(=O)NCCCC(=O)O

InChI

InChI=1S/C12H14BrNO3/c1-8-7-9(13)4-5-10(8)12(17)14-6-2-3-11(15)16/h4-5,7H,2-3,6H2,1H3,(H,14,17)(H,15,16)