2-azanyl-4-[2-[2,2-bis(chloranyl)ethylamino]phenyl]butanoic acid

Systemtic Name: 2-azanyl-4-[2-[2,2-bis(chloranyl)ethylamino]phenyl]butanoic acid Openeye Name: 2-amino-4-[2-(2,2-dichloroethylamino)phenyl]butanoic acid CAS Name: 2-amino-4-[2-(2,2-dichloroethylamino)phenyl]butanoic acid IUPAC Name: 2-amino-4-[2-(2,2-dichloroethylamino)phenyl]butanoic acid Traditional Name: 2-amino-4-[2-(2,2-dichloroethylamino)phenyl]butyric acid Formula: C12H16Cl2N2O2 MolecularWeight: 291.17364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(C(=O)O)N)NCC(Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CCC(C(=O)O)N)NCC(Cl)Cl

InChI

InChI=1S/C12H16Cl2N2O2/c13-11(14)7-16-10-4-2-1-3-8(10)5-6-9(15)12(17)18/h1-4,9,11,16H,5-7,15H2,(H,17,18)