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

Systemtic Name: 3-[5-[2-(1H-indol-3-yl)ethanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[[2-(1H-indol-3-yl)acetyl]amino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[[2-(1H-indol-3-yl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[[2-(1H-indol-3-yl)acetyl]amino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C26H22N4O3 MolecularWeight: 438.47788

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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)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H22N4O3/c31-25(12-18-15-27-21-9-5-4-8-20(18)21)29-19-10-11-23-22(13-19)28-16-30(23)24(14-26(32)33)17-6-2-1-3-7-17/h1-11,13,15-16,24,27H,12,14H2,(H,29,31)(H,32,33)