4-[5-[2-chloroethyl(2-hydroxyethyl)amino]-1-methyl-benzimidazol-2-yl]butanoic acid

Systemtic Name: 4-[5-[2-chloroethyl(2-hydroxyethyl)amino]-1-methyl-benzimidazol-2-yl]butanoic acid Openeye Name: 4-[5-[2-chloroethyl(2-hydroxyethyl)amino]-1-methyl-benzimidazol-2-yl]butanoic acid CAS Name: 4-[5-[2-chloroethyl(2-hydroxyethyl)amino]-1-methyl-2-benzimidazolyl]butanoic acid IUPAC Name: 4-[5-[2-chloroethyl(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid Traditional Name: 4-[5-[2-chloroethyl(2-hydroxyethyl)amino]-1-methyl-benzimidazol-2-yl]butyric acid Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CCO)CCCl)N=C1CCCC(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CCO)CCCl)N=C1CCCC(=O)O

InChI

InChI=1S/C16H22ClN3O3/c1-19-14-6-5-12(20(8-7-17)9-10-21)11-13(14)18-15(19)3-2-4-16(22)23/h5-6,11,21H,2-4,7-10H2,1H3,(H,22,23)