ethyl 5-azanyl-5-(2,4-dimethoxyphenyl)carbonyl-2-(2-methylpropoxycarbonyloxymethyl)-1H-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-5-(2,4-dimethoxyphenyl)carbonyl-2-(2-methylpropoxycarbonyloxymethyl)-1H-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-amino-5-(2,4-dimethoxybenzoyl)-2-(isobutoxycarbonyloxymethyl)-1H-triazole-4-carboxylate CAS Name: 5-amino-5-[(2,4-dimethoxyphenyl)-oxomethyl]-2-[[2-methylpropoxy(oxo)methoxy]methyl]-1H-triazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-5-(2,4-dimethoxybenzoyl)-2-(2-methylpropoxycarbonyloxymethyl)-1H-triazole-4-carboxylate Traditional Name: 5-amino-5-(2,4-dimethoxybenzoyl)-2-(isobutoxycarbonyloxymethyl)-1H-triazole-4-carboxylic acid ethyl ester Formula: C20H28N4O8 MolecularWeight: 452.45832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(NC1(C(=O)C2=C(C=C(C=C2)OC)OC)N)COC(=O)OCC(C)C

Isomeric SMILES

CCOC(=O)C1=NN(NC1(C(=O)C2=C(C=C(C=C2)OC)OC)N)COC(=O)OCC(C)C

InChI

InChI=1S/C20H28N4O8/c1-6-30-18(26)16-20(21,17(25)14-8-7-13(28-4)9-15(14)29-5)23-24(22-16)11-32-19(27)31-10-12(2)3/h7-9,12,23H,6,10-11,21H2,1-5H3