2-[2-[bis(2-chloroethyl)amino]phenyl]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1N(CCCl)CCCl)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1N(CCCl)CCCl)C(=O)O

InChI

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