ethyl 3-[[2-(aminomethyl)-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: ethyl 3-[[2-(aminomethyl)-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-(aminomethyl)-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-(aminomethyl)-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(aminomethyl)-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-(aminomethyl)-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid ethyl ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CN)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CN)C

InChI

InChI=1S/C20H23N5O3/c1-3-28-19(26)9-11-25(17-6-4-5-10-22-17)20(27)14-7-8-16-15(12-14)23-18(13-21)24(16)2/h4-8,10,12H,3,9,11,13,21H2,1-2H3