ethyl 5-(2-azanyl-4,5-dimethoxy-phenyl)carbonyl-2-(hexoxycarbonyloxymethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-(2-azanyl-4,5-dimethoxy-phenyl)carbonyl-2-(hexoxycarbonyloxymethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(2-amino-4,5-dimethoxy-benzoyl)-2-(hexoxycarbonyloxymethyl)triazole-4-carboxylate CAS Name: 5-[(2-amino-4,5-dimethoxyphenyl)-oxomethyl]-2-[[hexoxy(oxo)methoxy]methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-amino-4,5-dimethoxybenzoyl)-2-(hexoxycarbonyloxymethyl)triazole-4-carboxylate Traditional Name: 5-(2-amino-4,5-dimethoxy-benzoyl)-2-(hexoxycarbonyloxymethyl)triazole-4-carboxylic acid ethyl ester Formula: C22H30N4O8 MolecularWeight: 478.4956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)OCN1N=C(C(=N1)C(=O)OCC)C(=O)C2=CC(=C(C=C2N)OC)OC

Isomeric SMILES

CCCCCCOC(=O)OCN1N=C(C(=N1)C(=O)OCC)C(=O)C2=CC(=C(C=C2N)OC)OC

InChI

InChI=1S/C22H30N4O8/c1-5-7-8-9-10-33-22(29)34-13-26-24-18(19(25-26)21(28)32-6-2)20(27)14-11-16(30-3)17(31-4)12-15(14)23/h11-12H,5-10,13,23H2,1-4H3