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

Systemtic Name: 2-azanyl-3-[5-[bis(2-chloroethyl)amino]-1-phenyl-benzimidazol-2-yl]propanoic acid Openeye Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenyl-benzimidazol-2-yl]propanoic acid CAS Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenyl-2-benzimidazolyl]propanoic acid IUPAC Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]propanoic acid Traditional Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenyl-benzimidazol-2-yl]propionic acid Formula: C20H22Cl2N4O2 MolecularWeight: 421.32028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(CCCl)CCCl)N=C2CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(CCCl)CCCl)N=C2CC(C(=O)O)N

InChI

InChI=1S/C20H22Cl2N4O2/c21-8-10-25(11-9-22)15-6-7-18-17(12-15)24-19(13-16(23)20(27)28)26(18)14-4-2-1-3-5-14/h1-7,12,16H,8-11,13,23H2,(H,27,28)