methyl 4-[[2-[4-(aminomethyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[2-[4-(aminomethyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[2-[4-(aminomethyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]butanoate CAS Name: 4-[[[2-[4-(aminomethyl)phenyl]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(aminomethyl)phenyl]-1-methylbenzimidazole-5-carbonyl]amino]butanoate Traditional Name: 4-[[2-[4-(aminomethyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]butyric acid methyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCCC(=O)OC)N=C1C3=CC=C(C=C3)CN

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCCC(=O)OC)N=C1C3=CC=C(C=C3)CN

InChI

InChI=1S/C21H24N4O3/c1-25-18-10-9-16(21(27)23-11-3-4-19(26)28-2)12-17(18)24-20(25)15-7-5-14(13-22)6-8-15/h5-10,12H,3-4,11,13,22H2,1-2H3,(H,23,27)