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

Systemtic Name: octyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: octyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid octyl ester IUPAC Name: octyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid octyl ester Formula: C22H35Cl2NO2 MolecularWeight: 416.4248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl

Isomeric SMILES

CCCCCCCCOC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C22H35Cl2NO2/c1-2-3-4-5-6-7-19-27-22(26)10-8-9-20-11-13-21(14-12-20)25(17-15-23)18-16-24/h11-14H,2-10,15-19H2,1H3