3-[5-[4-(1H-indol-3-yl)butanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[4-(1H-indol-3-yl)butanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[4-(1H-indol-3-yl)butanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[4-(1H-indol-3-yl)butanoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[4-(1H-indol-3-yl)butanoylamino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C28H26N4O3 MolecularWeight: 466.53104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)CCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)CCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H26N4O3/c33-27(12-6-9-20-17-29-23-11-5-4-10-22(20)23)31-21-13-14-25-24(15-21)30-18-32(25)26(16-28(34)35)19-7-2-1-3-8-19/h1-5,7-8,10-11,13-15,17-18,26,29H,6,9,12,16H2,(H,31,33)(H,34,35)