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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)N(CCCl)CCCl)(C(=O)O)N

Isomeric SMILES

CC(C1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)N(CCCl)CCCl)(C(=O)O)N

InChI

InChI=1S/C20H22Cl2N4O2/c1-20(23,19(27)28)18-24-16-13-15(25(11-9-21)12-10-22)7-8-17(16)26(18)14-5-3-2-4-6-14/h2-8,13H,9-12,23H2,1H3,(H,27,28)