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

Systemtic Name: hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid hexyl ester IUPAC Name: hexyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid hexyl ester Formula: C20H31Cl2NO2 MolecularWeight: 388.37164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31Cl2NO2/c1-2-3-4-5-17-25-20(24)8-6-7-18-9-11-19(12-10-18)23(15-13-21)16-14-22/h9-12H,2-8,13-17H2,1H3