4-(3H-benzimidazol-5-ylcarbonylamino)butanoate

Systemtic Name: 4-(3H-benzimidazol-5-ylcarbonylamino)butanoate Openeye Name: 4-(3H-benzimidazole-5-carbonylamino)butanoate CAS Name: 4-[[3H-benzimidazol-5-yl(oxo)methyl]amino]butanoate IUPAC Name: 4-(3H-benzimidazole-5-carbonylamino)butanoate Traditional Name: 4-(3H-benzimidazole-5-carbonylamino)butyrate Formula: C12H12N3O3- MolecularWeight: 246.24198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NCCCC(=O)[O-])NC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NCCCC(=O)[O-])NC=N2

InChI

InChI=1S/C12H13N3O3/c16-11(17)2-1-5-13-12(18)8-3-4-9-10(6-8)15-7-14-9/h3-4,6-7H,1-2,5H2,(H,13,18)(H,14,15)(H,16,17)/p-1