2-[5-(1,2,4-triazol-1-ylmethyl)-1-[[5-(1,2,4-triazol-1-ylmethyl)-1-[[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]methyl]indol-3-yl]methyl]indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1-[[5-(1,2,4-triazol-1-ylmethyl)-1-[[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]methyl]indol-3-yl]methyl]indol-3-yl]ethanoic acid Openeye Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1-[[5-(1,2,4-triazol-1-ylmethyl)-1-[[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]methyl]indol-3-yl]methyl]indol-3-yl]acetic acid CAS Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1-[[5-(1,2,4-triazol-1-ylmethyl)-1-[[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]methyl]-3-indolyl]methyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1-[[5-(1,2,4-triazol-1-ylmethyl)-1-[[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]methyl]indol-3-yl]methyl]indol-3-yl]acetic acid Traditional Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1-[[5-(1,2,4-triazol-1-ylmethyl)-1-[[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]methyl]indol-3-yl]methyl]indol-3-yl]acetic acid Formula: C37H32N12O2 MolecularWeight: 676.72918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CN3C=NC=N3)C(=CN2)CN4C=C(C5=C4C=CC(=C5)CN6C=NC=N6)CN7C=C(C8=C7C=CC(=C8)CN9C=NC=N9)CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1CN3C=NC=N3)C(=CN2)CN4C=C(C5=C4C=CC(=C5)CN6C=NC=N6)CN7C=C(C8=C7C=CC(=C8)CN9C=NC=N9)CC(=O)O

InChI

InChI=1S/C37H32N12O2/c50-37(51)10-28-15-45(35-5-2-26(8-32(28)35)13-48-23-39-20-43-48)17-30-18-46(36-6-3-27(9-33(30)36)14-49-24-40-21-44-49)16-29-11-41-34-4-1-25(7-31(29)34)12-47-22-38-19-42-47/h1-9,11,15,18-24,41H,10,12-14,16-17H2,(H,50,51)