dimethyl 1-[2-(1H-indol-3-yl)ethyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[2-(1H-indol-3-yl)ethyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[2-(1H-indol-3-yl)ethyl]triazole-4,5-dicarboxylate CAS Name: 1-[2-(1H-indol-3-yl)ethyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(1H-indol-3-yl)ethyl]triazole-4,5-dicarboxylate Traditional Name: 1-[2-(1H-indol-3-yl)ethyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CCC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)CCC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C16H16N4O4/c1-23-15(21)13-14(16(22)24-2)20(19-18-13)8-7-10-9-17-12-6-4-3-5-11(10)12/h3-6,9,17H,7-8H2,1-2H3