3-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid

Systemtic Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid Openeye Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid CAS Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid IUPAC Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid Traditional Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid Formula: C14H19Cl2NO2 MolecularWeight: 304.21216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19Cl2NO2/c1-11(10-14(18)19)12-2-4-13(5-3-12)17(8-6-15)9-7-16/h2-5,11H,6-10H2,1H3,(H,18,19)