1-phenoxy-3-[4-(phenoxymethyl)-5-(3-phenoxyprop-1-ynyl)-1,2,3-triazol-1-yl]propan-2-ol

Systemtic Name: 1-phenoxy-3-[4-(phenoxymethyl)-5-(3-phenoxyprop-1-ynyl)-1,2,3-triazol-1-yl]propan-2-ol Openeye Name: 1-phenoxy-3-[4-(phenoxymethyl)-5-(3-phenoxyprop-1-ynyl)triazol-1-yl]propan-2-ol CAS Name: 1-phenoxy-3-[4-(phenoxymethyl)-5-(3-phenoxyprop-1-ynyl)-1-triazolyl]-2-propanol IUPAC Name: 1-phenoxy-3-[4-(phenoxymethyl)-5-(3-phenoxyprop-1-ynyl)triazol-1-yl]propan-2-ol Traditional Name: 1-phenoxy-3-[4-(phenoxymethyl)-5-(3-phenoxyprop-1-ynyl)triazol-1-yl]propan-2-ol Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC#CC2=C(N=NN2CC(COC3=CC=CC=C3)O)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OCC#CC2=C(N=NN2CC(COC3=CC=CC=C3)O)COC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c31-22(20-33-24-13-6-2-7-14-24)19-30-27(17-10-18-32-23-11-4-1-5-12-23)26(28-29-30)21-34-25-15-8-3-9-16-25/h1-9,11-16,22,31H,18-21H2