[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-[(2-methoxy-1-methyl-ethyl)amino]-2-oxo-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-keto-2-[(2-methoxy-1-methyl-ethyl)amino]ethyl] ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)COC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(COC)NC(=O)COC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4/c1-15(13-28-2)22-18(26)14-29-21(27)19-23-20(16-9-5-3-6-10-16)25(24-19)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,22,26)