(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C16H18N4O3/c1-3-4-9-20-14(17-18-19-20)10-22-16(21)15-11(2)12-7-5-6-8-13(12)23-15/h5-8H,3-4,9-10H2,1-2H3