4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl 2,2-dimethylpropanoate

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl 2,2-dimethylpropanoate Openeye Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl] ester IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl ester Formula: C19H27Cl2NO3 MolecularWeight: 388.32858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27Cl2NO3/c1-19(2,3)18(24)25-17(23)6-4-5-15-7-9-16(10-8-15)22(13-11-20)14-12-21/h7-10H,4-6,11-14H2,1-3H3