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

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

CC(C1=NC2=C(N1)C=C(C=C2)N(CCCl)CCCl)(C(=O)O)N

Isomeric SMILES

CC(C1=NC2=C(N1)C=C(C=C2)N(CCCl)CCCl)(C(=O)O)N

InChI

InChI=1S/C14H18Cl2N4O2/c1-14(17,13(21)22)12-18-10-3-2-9(8-11(10)19-12)20(6-4-15)7-5-16/h2-3,8H,4-7,17H2,1H3,(H,18,19)(H,21,22)