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

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] butanoate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] butanoate CAS Name: butanoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] butanoate Traditional Name: butyric acid [4-[bis(2-chloroethyl)amino]phenyl] ester Formula: C14H19Cl2NO2 MolecularWeight: 304.21216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C14H19Cl2NO2/c1-2-3-14(18)19-13-6-4-12(5-7-13)17(10-8-15)11-9-16/h4-7H,2-3,8-11H2,1H3