3-[5-[[(2E)-2-(3-oxidanylidene-2-benzofuran-1-ylidene)ethanoyl]amino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[[(2E)-2-(3-oxidanylidene-2-benzofuran-1-ylidene)ethanoyl]amino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[[(2E)-2-(3-oxoisobenzofuran-1-ylidene)acetyl]amino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[(2E)-1-oxo-2-(3-oxo-1-isobenzofuranylidene)ethyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[[(2E)-2-(3-oxo-2-benzofuran-1-ylidene)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-phenyl-3-[5-[[(2E)-2-phthalidylideneacetyl]amino]benzimidazol-1-yl]propionic acid Formula: C26H19N3O5 MolecularWeight: 453.44616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)C=C4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)/C=C/4\C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C26H19N3O5/c30-24(14-23-18-8-4-5-9-19(18)26(33)34-23)28-17-10-11-21-20(12-17)27-15-29(21)22(13-25(31)32)16-6-2-1-3-7-16/h1-12,14-15,22H,13H2,(H,28,30)(H,31,32)/b23-14+