methyl 4-[2-[4-(2-azanylethyl)phenyl]-1-methyl-benzimidazol-5-yl]-4-oxidanylidene-butanoate dihydrochloride

Systemtic Name: methyl 4-[2-[4-(2-azanylethyl)phenyl]-1-methyl-benzimidazol-5-yl]-4-oxidanylidene-butanoate dihydrochloride Openeye Name: methyl 4-[2-[4-(2-aminoethyl)phenyl]-1-methyl-benzimidazol-5-yl]-4-oxo-butanoate dihydrochloride CAS Name: 4-[2-[4-(2-aminoethyl)phenyl]-1-methyl-5-benzimidazolyl]-4-oxobutanoic acid methyl ester dihydrochloride IUPAC Name: methyl 4-[2-[4-(2-aminoethyl)phenyl]-1-methylbenzimidazol-5-yl]-4-oxobutanoate dihydrochloride Traditional Name: 4-[2-[4-(2-aminoethyl)phenyl]-1-methyl-benzimidazol-5-yl]-4-keto-butyric acid methyl ester dihydrochloride Formula: C21H25Cl2N3O3 MolecularWeight: 438.3475

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)CCC(=O)OC)N=C1C3=CC=C(C=C3)CCN.Cl.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)CCC(=O)OC)N=C1C3=CC=C(C=C3)CCN.Cl.Cl

InChI

InChI=1S/C21H23N3O3.2ClH/c1-24-18-8-7-16(19(25)9-10-20(26)27-2)13-17(18)23-21(24)15-5-3-14(4-6-15)11-12-22;;/h3-8,13H,9-12,22H2,1-2H3;2*1H