5-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butoxy]-2-(2H-1,2,3,4-tetrazol-5-yl)benzenecarbonitrile

Systemtic Name: 5-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butoxy]-2-(2H-1,2,3,4-tetrazol-5-yl)benzenecarbonitrile Openeye Name: 5-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butoxy]-2-(2H-tetrazol-5-yl)benzonitrile CAS Name: 5-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butoxy]-2-(2H-tetrazol-5-yl)benzonitrile IUPAC Name: 5-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butoxy]-2-(2H-tetrazol-5-yl)benzonitrile Traditional Name: 5-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butoxy]-2-(2H-tetrazol-5-yl)benzonitrile Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCOC2=CC(=C(C=C2)C3=NNN=N3)C#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCOC2=CC(=C(C=C2)C3=NNN=N3)C#N

InChI

InChI=1S/C23H25N5O4/c1-3-6-20-21(10-9-18(15(2)29)22(20)30)32-12-5-4-11-31-17-7-8-19(16(13-17)14-24)23-25-27-28-26-23/h7-10,13,30H,3-6,11-12H2,1-2H3,(H,25,26,27,28)