3-[5-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[2-(1H-benzimidazol-2-ylamino)-2-oxo-ethoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[2-(1H-benzimidazol-2-ylamino)-2-oxoethoxy]-1H-indol-3-yl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[2-(1H-benzimidazol-2-ylamino)-2-oxoethoxy]-1H-indol-3-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[2-(1H-benzimidazol-2-ylamino)-2-keto-ethoxy]-1H-indol-3-yl]-3-phenyl-propionic acid Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=C(C=C3)OCC(=O)NC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=C(C=C3)OCC(=O)NC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H22N4O4/c31-24(30-26-28-22-8-4-5-9-23(22)29-26)15-34-17-10-11-21-19(12-17)20(14-27-21)18(13-25(32)33)16-6-2-1-3-7-16/h1-12,14,18,27H,13,15H2,(H,32,33)(H2,28,29,30,31)