2-[3-(3-bromophenyl)propanoylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[3-(3-bromophenyl)propanoylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[3-(3-bromophenyl)propanoylamino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[3-(3-bromophenyl)-1-oxopropyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[3-(3-bromophenyl)propanoylamino]-3,3-dimethylbutanoic acid Traditional Name: 2-[3-(3-bromophenyl)propanoylamino]-3,3-dimethyl-butyric acid Formula: C15H20BrNO3 MolecularWeight: 342.2282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)CCC1=CC(=CC=C1)Br

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)CCC1=CC(=CC=C1)Br

InChI

InChI=1S/C15H20BrNO3/c1-15(2,3)13(14(19)20)17-12(18)8-7-10-5-4-6-11(16)9-10/h4-6,9,13H,7-8H2,1-3H3,(H,17,18)(H,19,20)