3-[5-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid

Systemtic Name: 3-[5-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-[5-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,3-dioxo-isoindolin-2-yl]propanoic acid CAS Name: 3-[5-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-1,3-dioxo-2-isoindolyl]propanoic acid IUPAC Name: 3-[5-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,3-dioxoisoindol-2-yl]propanoic acid Traditional Name: 3-[5-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,3-diketo-isoindolin-2-yl]propionic acid Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC(=O)O

InChI

InChI=1S/C20H16N4O5/c25-17(26)7-8-24-19(28)12-6-5-11(9-13(12)20(24)29)18(27)21-10-16-22-14-3-1-2-4-15(14)23-16/h1-6,9H,7-8,10H2,(H,21,27)(H,22,23)(H,25,26)