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

Systemtic Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Openeye Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid IUPAC Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Traditional Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid Formula: C13H17Cl2NO2 MolecularWeight: 290.18558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C13H17Cl2NO2/c14-7-9-16(10-8-15)12-4-1-11(2-5-12)3-6-13(17)18/h1-2,4-5H,3,6-10H2,(H,17,18)