methyl 3-[[2-[4-(aminomethyl)cyclohexyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-[4-(aminomethyl)cyclohexyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-[4-(aminomethyl)cyclohexyl]-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[4-(aminomethyl)cyclohexyl]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(aminomethyl)cyclohexyl]-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-[4-(aminomethyl)cyclohexyl]-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3CCC(CC3)CN

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3CCC(CC3)CN

InChI

InChI=1S/C20H28N4O3/c1-24-17-8-7-15(20(26)22-10-9-18(25)27-2)11-16(17)23-19(24)14-5-3-13(12-21)4-6-14/h7-8,11,13-14H,3-6,9-10,12,21H2,1-2H3,(H,22,26)