ethyl 1-[1,3,4-tris(phenylmethoxy)butan-2-yloxymethyl]-1,2,4-triazole-3-carboxylate

Systemtic Name: ethyl 1-[1,3,4-tris(phenylmethoxy)butan-2-yloxymethyl]-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 1-[[2,3-dibenzyloxy-1-(benzyloxymethyl)propoxy]methyl]-1,2,4-triazole-3-carboxylate CAS Name: 1-[1,3,4-tris(phenylmethoxy)butan-2-yloxymethyl]-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[1,3,4-tris(phenylmethoxy)butan-2-yloxymethyl]-1,2,4-triazole-3-carboxylate Traditional Name: 1-[[2,3-dibenzoxy-1-(benzoxymethyl)propoxy]methyl]-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C31H35N3O6 MolecularWeight: 545.6261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=N1)COC(COCC2=CC=CC=C2)C(COCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C=N1)COC(COCC2=CC=CC=C2)C(COCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H35N3O6/c1-2-38-31(35)30-32-23-34(33-30)24-40-29(22-37-19-26-14-8-4-9-15-26)28(39-20-27-16-10-5-11-17-27)21-36-18-25-12-6-3-7-13-25/h3-17,23,28-29H,2,18-22,24H2,1H3