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

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]phenoxy]butanoic acid Openeye Name: 4-[4-[bis(2-chloroethyl)amino]phenoxy]butanoic acid CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenoxy]butanoic acid IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]phenoxy]butanoic acid Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenoxy]butyric acid Formula: C14H19Cl2NO3 MolecularWeight: 320.21156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCCl)CCCl)OCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1N(CCCl)CCCl)OCCCC(=O)O

InChI

InChI=1S/C14H19Cl2NO3/c15-7-9-17(10-8-16)12-3-5-13(6-4-12)20-11-1-2-14(18)19/h3-6H,1-2,7-11H2,(H,18,19)