2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methoxy]-1-phenyl-7-(2H-1,2,3,4-tetrazol-5-yl)heptan-1-one

Systemtic Name: 2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methoxy]-1-phenyl-7-(2H-1,2,3,4-tetrazol-5-yl)heptan-1-one Openeye Name: 2-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methoxy]-1-phenyl-7-(2H-tetrazol-5-yl)heptan-1-one CAS Name: 2-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]-1-phenyl-7-(2H-tetrazol-5-yl)-1-heptanone IUPAC Name: 2-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]-1-phenyl-7-(2H-tetrazol-5-yl)heptan-1-one Traditional Name: 2-(4-acetyl-3-hydroxy-2-propyl-benzyl)oxy-1-phenyl-7-(2H-tetrazol-5-yl)heptan-1-one Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)COC(CCCCCC2=NNN=N2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)COC(CCCCCC2=NNN=N2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H32N4O4/c1-3-10-22-20(15-16-21(18(2)31)26(22)33)17-34-23(25(32)19-11-6-4-7-12-19)13-8-5-9-14-24-27-29-30-28-24/h4,6-7,11-12,15-16,23,33H,3,5,8-10,13-14,17H2,1-2H3,(H,27,28,29,30)