(5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (5-methoxycarbonyl-4-methyl-2-furyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (5-methoxycarbonyl-4-methyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (5-carbomethoxy-4-methyl-2-furyl)methyl ester Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H19N3O5/c1-15-13-18(31-19(15)22(27)29-2)14-30-23(28)20-24-21(16-9-5-3-6-10-16)26(25-20)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3