2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methoxy]-1-phenyl-6-(2H-1,2,3,4-tetrazol-5-yl)hexan-1-one

Systemtic Name: 2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methoxy]-1-phenyl-6-(2H-1,2,3,4-tetrazol-5-yl)hexan-1-one Openeye Name: 2-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methoxy]-1-phenyl-6-(2H-tetrazol-5-yl)hexan-1-one CAS Name: 2-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]-1-phenyl-6-(2H-tetrazol-5-yl)-1-hexanone IUPAC Name: 2-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]-1-phenyl-6-(2H-tetrazol-5-yl)hexan-1-one Traditional Name: 2-(4-acetyl-3-hydroxy-2-propyl-benzyl)oxy-1-phenyl-6-(2H-tetrazol-5-yl)hexan-1-one Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)COC(CCCCC2=NNN=N2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)COC(CCCCC2=NNN=N2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H30N4O4/c1-3-9-21-19(14-15-20(17(2)30)25(21)32)16-33-22(24(31)18-10-5-4-6-11-18)12-7-8-13-23-26-28-29-27-23/h4-6,10-11,14-15,22,32H,3,7-9,12-13,16H2,1-2H3,(H,26,27,28,29)