3-[4-(5-chloranyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(5-chloranyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(5-chloro-2-hydroxy-benzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(5-chloro-2-hydroxy-benzoyl)piperazino]propionic acid Formula: C14H17ClN2O4 MolecularWeight: 312.74878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C14H17ClN2O4/c15-10-1-2-12(18)11(9-10)14(21)17-7-5-16(6-8-17)4-3-13(19)20/h1-2,9,18H,3-8H2,(H,19,20)