1-[4-[[3-bromanyl-4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-[[3-bromanyl-4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[[3-bromo-4-(2H-tetrazol-5-yl)phenyl]methoxy]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[[3-bromo-4-(2H-tetrazol-5-yl)phenyl]methoxy]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[[3-bromo-4-(2H-tetrazol-5-yl)phenyl]methoxy]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[3-bromo-4-(2H-tetrazol-5-yl)benzyl]oxy-2-hydroxy-3-propyl-phenyl]ethanone Formula: C19H19BrN4O3 MolecularWeight: 431.28316

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=C(C=C2)C3=NNN=N3)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=C(C=C2)C3=NNN=N3)Br

InChI

InChI=1S/C19H19BrN4O3/c1-3-4-15-17(8-7-13(11(2)25)18(15)26)27-10-12-5-6-14(16(20)9-12)19-21-23-24-22-19/h5-9,26H,3-4,10H2,1-2H3,(H,21,22,23,24)