methyl 3-[[2-[4-(2-azanylpropyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-[4-(2-azanylpropyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-[4-(2-aminopropyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[4-(2-aminopropyl)phenyl]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2-aminopropyl)phenyl]-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-[4-(2-aminopropyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)OC)N

Isomeric SMILES

CC(CC1=CC=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)OC)N

InChI

InChI=1S/C22H26N4O3/c1-14(23)12-15-4-6-16(7-5-15)21-25-18-13-17(8-9-19(18)26(21)2)22(28)24-11-10-20(27)29-3/h4-9,13-14H,10-12,23H2,1-3H3,(H,24,28)