diethyl 2-acetamido-2-[(5-methyl-3-phenylmethoxy-1,2,3-triazol-4-yl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(5-methyl-3-phenylmethoxy-1,2,3-triazol-4-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(3-benzyloxy-5-methyl-triazol-4-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(5-methyl-3-phenylmethoxy-4-triazolyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(5-methyl-3-phenylmethoxytriazol-4-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(3-benzoxy-5-methyl-triazol-4-yl)methyl]malonic acid diethyl ester Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(N=NN1OCC2=CC=CC=C2)C)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(N=NN1OCC2=CC=CC=C2)C)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C20H26N4O6/c1-5-28-18(26)20(21-15(4)25,19(27)29-6-2)12-17-14(3)22-23-24(17)30-13-16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3,(H,21,25)