methyl 4-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]butanoate

Systemtic Name: methyl 4-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]butanoate Openeye Name: methyl 4-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]butanoate CAS Name: 4-[5-[bis(2-chloroethyl)amino]-1-methyl-2-benzimidazolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoate Traditional Name: 4-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]butyric acid methyl ester Formula: C17H23Cl2N3O2 MolecularWeight: 372.28942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23Cl2N3O2/c1-21-15-7-6-13(22(10-8-18)11-9-19)12-14(15)20-16(21)4-3-5-17(23)24-2/h6-7,12H,3-5,8-11H2,1-2H3