3-oxidanylidene-3-[2-(phenylmethyl)-1H-benzimidazol-4-yl]propanoic acid

Systemtic Name: 3-oxidanylidene-3-[2-(phenylmethyl)-1H-benzimidazol-4-yl]propanoic acid Openeye Name: 3-(2-benzyl-1H-benzimidazol-4-yl)-3-oxo-propanoic acid CAS Name: 3-oxo-3-[2-(phenylmethyl)-1H-benzimidazol-4-yl]propanoic acid IUPAC Name: 3-(2-benzyl-1H-benzimidazol-4-yl)-3-oxopropanoic acid Traditional Name: 3-(2-benzyl-1H-benzimidazol-4-yl)-3-keto-propionic acid Formula: C17H14N2O3 MolecularWeight: 294.30466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(C=CC=C3N2)C(=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(C=CC=C3N2)C(=O)CC(=O)O

InChI

InChI=1S/C17H14N2O3/c20-14(10-16(21)22)12-7-4-8-13-17(12)19-15(18-13)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)(H,21,22)