3-[[2-[4-(1-azanylcyclopropyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-[4-(1-azanylcyclopropyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-[4-(1-aminocyclopropyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[4-(1-aminocyclopropyl)phenyl]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[4-(1-aminocyclopropyl)phenyl]-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-[4-(1-aminocyclopropyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C4(CC4)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C4(CC4)N

InChI

InChI=1S/C21H22N4O3/c1-25-17-7-4-14(20(28)23-11-8-18(26)27)12-16(17)24-19(25)13-2-5-15(6-3-13)21(22)9-10-21/h2-7,12H,8-11,22H2,1H3,(H,23,28)(H,26,27)