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

Systemtic Name: 3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid Openeye Name: 3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid CAS Name: 3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid IUPAC Name: 3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid Traditional Name: 3-[3-[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(=C1)N(CCCl)CCCl)CCC(=O)O

Isomeric SMILES

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

InChI

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