7-[5-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butyl]-1,2,3,4-tetrazol-2-yl]heptanenitrile

Systemtic Name: 7-[5-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butyl]-1,2,3,4-tetrazol-2-yl]heptanenitrile Openeye Name: 7-[5-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butyl]tetrazol-2-yl]heptanenitrile CAS Name: 7-[5-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl]-2-tetrazolyl]heptanenitrile IUPAC Name: 7-[5-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl]tetrazol-2-yl]heptanenitrile Traditional Name: 7-[5-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butyl]tetrazol-2-yl]enanthonitrile Formula: C23H33N5O3 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NN(N=N2)CCCCCCC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NN(N=N2)CCCCCCC#N

InChI

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