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

Systemtic Name: 3-[5-(2,3-dihydro-1H-indol-2-ylcarbonylamino)benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-(indoline-2-carbonylamino)benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[2,3-dihydro-1H-indol-2-yl(oxo)methyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-(2,3-dihydro-1H-indole-2-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-(indoline-2-carbonylamino)benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=CC=CC=C21)C(=O)NC3=CC4=C(C=C3)N(C=N4)C(CC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1C(NC2=CC=CC=C21)C(=O)NC3=CC4=C(C=C3)N(C=N4)C(CC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3/c30-24(31)14-23(16-6-2-1-3-7-16)29-15-26-20-13-18(10-11-22(20)29)27-25(32)21-12-17-8-4-5-9-19(17)28-21/h1-11,13,15,21,23,28H,12,14H2,(H,27,32)(H,30,31)