methyl 4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-(2H-1,2,3,4-tetrazol-5-yl)benzoate

Systemtic Name: methyl 4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-(2H-1,2,3,4-tetrazol-5-yl)benzoate Openeye Name: methyl 4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-(2H-tetrazol-5-yl)benzoate CAS Name: 4-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(2H-tetrazol-5-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(2H-tetrazol-5-yl)benzoate Traditional Name: 4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-(2H-tetrazol-5-yl)benzoic acid methyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC2=CC(=C(C=C2)C(=O)OC)C3=NNN=N3

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC2=CC(=C(C=C2)C(=O)OC)C3=NNN=N3

InChI

InChI=1S/C20H20N4O5/c1-4-5-15-17(9-8-13(11(2)25)18(15)26)29-12-6-7-14(20(27)28-3)16(10-12)19-21-23-24-22-19/h6-10,26H,4-5H2,1-3H3,(H,21,22,23,24)