2-azanyl-4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid

Systemtic Name: 2-azanyl-4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid Openeye Name: 2-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid CAS Name: 2-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid IUPAC Name: 2-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid Traditional Name: 2-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid Formula: C14H20Cl2N2O2 MolecularWeight: 319.2268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(=O)O)N)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CCC(C(=O)O)N)N(CCCl)CCCl

InChI

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