3-[3-[bis(2-chloroethyl)amino]phenoxy]propanoic acid

Systemtic Name: 3-[3-[bis(2-chloroethyl)amino]phenoxy]propanoic acid Openeye Name: 3-[3-[bis(2-chloroethyl)amino]phenoxy]propanoic acid CAS Name: 3-[3-[bis(2-chloroethyl)amino]phenoxy]propanoic acid IUPAC Name: 3-[3-[bis(2-chloroethyl)amino]phenoxy]propanoic acid Traditional Name: 3-[3-[bis(2-chloroethyl)amino]phenoxy]propionic acid Formula: C13H17Cl2NO3 MolecularWeight: 306.18498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl2NO3/c14-5-7-16(8-6-15)11-2-1-3-12(10-11)19-9-4-13(17)18/h1-3,10H,4-9H2,(H,17,18)