2-azanyl-3-[6-[bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-[bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl]propanoic acid Openeye Name: 2-amino-3-[6-[bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl]propanoic acid CAS Name: 2-amino-3-[6-[bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl]propanoic acid IUPAC Name: 2-amino-3-[6-[bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl]propanoic acid Traditional Name: 2-amino-3-[6-[bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl]propionic acid Formula: C14H18Cl2N4O2 MolecularWeight: 345.22432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N(CCCl)CCCl)NC(=N2)CC(C(=O)O)N

Isomeric SMILES

C1=CC2=C(C=C1N(CCCl)CCCl)NC(=N2)CC(C(=O)O)N

InChI

InChI=1S/C14H18Cl2N4O2/c15-3-5-20(6-4-16)9-1-2-11-12(7-9)19-13(18-11)8-10(17)14(21)22/h1-2,7,10H,3-6,8,17H2,(H,18,19)(H,21,22)