3-[4-(4-bromanyl-2-methyl-phenyl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(4-bromanyl-2-methyl-phenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4-bromo-2-methyl-benzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(4-bromo-2-methylphenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4-bromo-2-methylbenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(4-bromo-2-methyl-benzoyl)piperazino]propionic acid Formula: C15H19BrN2O3 MolecularWeight: 355.22696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C15H19BrN2O3/c1-11-10-12(16)2-3-13(11)15(21)18-8-6-17(7-9-18)5-4-14(19)20/h2-3,10H,4-9H2,1H3,(H,19,20)