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

Systemtic Name: 2-methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: isobutyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid isobutyl ester Formula: C18H27Cl2NO2 MolecularWeight: 360.31848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27Cl2NO2/c1-15(2)14-23-18(22)5-3-4-16-6-8-17(9-7-16)21(12-10-19)13-11-20/h6-9,15H,3-5,10-14H2,1-2H3