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

Systemtic Name: 3-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Openeye Name: 3-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid CAS Name: 3-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid IUPAC Name: 3-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Traditional Name: 3-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid Formula: C13H18Cl2N2O2 MolecularWeight: 305.20022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)O)N)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)O)N)N(CCCl)CCCl

InChI

InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)12(16)9-13(18)19/h1-4,12H,5-9,16H2,(H,18,19)