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

Systemtic Name: 2-bromoethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: 2-bromoethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid 2-bromoethyl ester Formula: C16H22BrCl2NO2 MolecularWeight: 411.16138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)OCCBr)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)OCCBr)N(CCCl)CCCl

InChI

InChI=1S/C16H22BrCl2NO2/c17-8-13-22-16(21)3-1-2-14-4-6-15(7-5-14)20(11-9-18)12-10-19/h4-7H,1-3,8-13H2