4-[4-(3H-benzimidazol-5-ylcarbonylamino)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(3H-benzimidazol-5-ylcarbonylamino)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3H-benzimidazole-5-carbonylamino)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[3H-benzimidazol-5-yl(oxo)methyl]amino]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(3H-benzimidazole-5-carbonylamino)phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(3H-benzimidazole-5-carbonylamino)phenyl]-4-keto-butyric acid Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCC(=O)O)NC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCC(=O)O)NC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C18H15N3O4/c22-16(7-8-17(23)24)11-1-4-13(5-2-11)21-18(25)12-3-6-14-15(9-12)20-10-19-14/h1-6,9-10H,7-8H2,(H,19,20)(H,21,25)(H,23,24)