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

Systemtic Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate IUPAC Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]butyrate Formula: C14H18Cl2NO2- MolecularWeight: 303.20422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)N(CCCl)CCCl)C(=O)[O-]

Isomeric SMILES

CCC(C1=CC=C(C=C1)N(CCCl)CCCl)C(=O)[O-]

InChI

InChI=1S/C14H19Cl2NO2/c1-2-13(14(18)19)11-3-5-12(6-4-11)17(9-7-15)10-8-16/h3-6,13H,2,7-10H2,1H3,(H,18,19)/p-1