2-[[3-(4-bromophenyl)-3-oxidanyl-propyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3-(4-bromophenyl)-3-oxidanyl-propyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[3-(4-bromophenyl)-3-hydroxy-propyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[3-(4-bromophenyl)-3-hydroxypropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-(4-bromophenyl)-3-hydroxypropyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3-(4-bromophenyl)-3-hydroxy-propyl]amino]-3-methyl-butyric acid Formula: C14H20BrNO3 MolecularWeight: 330.2175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCCC(C1=CC=C(C=C1)Br)O

Isomeric SMILES

CC(C)C(C(=O)O)NCCC(C1=CC=C(C=C1)Br)O

InChI

InChI=1S/C14H20BrNO3/c1-9(2)13(14(18)19)16-8-7-12(17)10-3-5-11(15)6-4-10/h3-6,9,12-13,16-17H,7-8H2,1-2H3,(H,18,19)