3-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)phenyl]-2-methyl-3-(2H-1,2,3,4-tetrazol-5-yl)propanenitrile

Systemtic Name: 3-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)phenyl]-2-methyl-3-(2H-1,2,3,4-tetrazol-5-yl)propanenitrile Openeye Name: 3-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)phenyl]-2-methyl-3-(2H-tetrazol-5-yl)propanenitrile CAS Name: 3-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)phenyl]-2-methyl-3-(2H-tetrazol-5-yl)propanenitrile IUPAC Name: 3-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)phenyl]-2-methyl-3-(2H-tetrazol-5-yl)propanenitrile Traditional Name: 3-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)phenyl]-2-methyl-3-(2H-tetrazol-5-yl)propionitrile Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC2=CC=C(C=C2)C(C3=NNN=N3)C(C)C#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC2=CC=C(C=C2)C(C3=NNN=N3)C(C)C#N

InChI

InChI=1S/C22H23N5O3/c1-4-5-18-19(11-10-17(14(3)28)21(18)29)30-16-8-6-15(7-9-16)20(13(2)12-23)22-24-26-27-25-22/h6-11,13,20,29H,4-5H2,1-3H3,(H,24,25,26,27)