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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)