3-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]propanoic acid

Systemtic Name: 3-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]propanoic acid Openeye Name: 3-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]propanoic acid CAS Name: 3-[5-[bis(2-chloroethyl)amino]-1-methyl-2-benzimidazolyl]propanoic acid IUPAC Name: 3-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]propanoic acid Traditional Name: 3-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]propionic acid Formula: C15H19Cl2N3O2 MolecularWeight: 344.23626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCC(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCC(=O)O

InChI

InChI=1S/C15H19Cl2N3O2/c1-19-13-3-2-11(20(8-6-16)9-7-17)10-12(13)18-14(19)4-5-15(21)22/h2-3,10H,4-9H2,1H3,(H,21,22)