(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-methylbenzo[g]benzofuran-2-carboxylate CAS Name: 3-methyl-2-benzo[g]benzofurancarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-methylbenzo[g][1]benzofuran-2-carboxylate Traditional Name: 3-methylbenzo[g]benzofuran-2-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=C(C3=C(O2)C4=CC=CC=C4C=C3)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=C(C3=C(O2)C4=CC=CC=C4C=C3)C

InChI

InChI=1S/C20H20N4O3/c1-3-4-11-24-17(21-22-23-24)12-26-20(25)18-13(2)15-10-9-14-7-5-6-8-16(14)19(15)27-18/h5-10H,3-4,11-12H2,1-2H3