ethyl 3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]oxymethyl]coumarilic acid ethyl ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H19N3O5/c1-2-28-22(27)20-18(17-5-3-4-6-19(17)30-20)12-29-21(26)16-9-7-15(8-10-16)11-25-14-23-13-24-25/h3-10,13-14H,2,11-12H2,1H3