3-[6-[3-(1H-indol-3-yl)propanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[6-[3-(1H-indol-3-yl)propanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[6-[3-(1H-indol-3-yl)propanoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[6-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[6-[3-(1H-indol-3-yl)propanoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[6-[3-(1H-indol-3-yl)propanoylamino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=C(C=C3)NC(=O)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=C(C=C3)NC(=O)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H24N4O3/c32-26(13-10-19-16-28-22-9-5-4-8-21(19)22)30-20-11-12-23-25(14-20)31(17-29-23)24(15-27(33)34)18-6-2-1-3-7-18/h1-9,11-12,14,16-17,24,28H,10,13,15H2,(H,30,32)(H,33,34)