5-[5-[6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)hexyl]-1,2,3,4-tetrazol-1-yl]pentanenitrile

Systemtic Name: 5-[5-[6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)hexyl]-1,2,3,4-tetrazol-1-yl]pentanenitrile Openeye Name: 5-[5-[6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)hexyl]tetrazol-1-yl]pentanenitrile CAS Name: 5-[5-[6-(4-acetyl-3-hydroxy-2-propylphenoxy)hexyl]-1-tetrazolyl]pentanenitrile IUPAC Name: 5-[5-[6-(4-acetyl-3-hydroxy-2-propylphenoxy)hexyl]tetrazol-1-yl]pentanenitrile Traditional Name: 5-[5-[6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)hexyl]tetrazol-1-yl]valeronitrile Formula: C23H33N5O3 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCC2=NN=NN2CCCCC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCC2=NN=NN2CCCCC#N

InChI

InChI=1S/C23H33N5O3/c1-3-11-20-21(14-13-19(18(2)29)23(20)30)31-17-10-5-4-7-12-22-25-26-27-28(22)16-9-6-8-15-24/h13-14,30H,3-12,16-17H2,1-2H3