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

Systemtic Name: 2-azanyl-3-[4-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[bis(2-chloroethyl)aminomethyl]phenyl]propionic acid Formula: C14H20Cl2N2O2 MolecularWeight: 319.2268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)CN(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)CN(CCCl)CCCl

InChI

InChI=1S/C14H20Cl2N2O2/c15-5-7-18(8-6-16)10-12-3-1-11(2-4-12)9-13(17)14(19)20/h1-4,13H,5-10,17H2,(H,19,20)