4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyrate Formula: C14H18Cl2NO2- MolecularWeight: 303.20422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)[O-])N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)[O-])N(CCCl)CCCl

InChI

InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)/p-1