4-[2,3-bis(2-chloroethylamino)phenyl]butanoic acid

Systemtic Name: 4-[2,3-bis(2-chloroethylamino)phenyl]butanoic acid Openeye Name: 4-[2,3-bis(2-chloroethylamino)phenyl]butanoic acid CAS Name: 4-[2,3-bis(2-chloroethylamino)phenyl]butanoic acid IUPAC Name: 4-[2,3-bis(2-chloroethylamino)phenyl]butanoic acid Traditional Name: 4-[2,3-bis(2-chloroethylamino)phenyl]butyric acid Formula: C14H20Cl2N2O2 MolecularWeight: 319.2268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)NCCCl)NCCCl)CCCC(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)NCCCl)NCCCl)CCCC(=O)O

InChI

InChI=1S/C14H20Cl2N2O2/c15-7-9-17-12-5-1-3-11(4-2-6-13(19)20)14(12)18-10-8-16/h1,3,5,17-18H,2,4,6-10H2,(H,19,20)