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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3/c1-3-6-19-20(12-11-18(15(2)28)21(19)29)30-17-9-7-16(8-10-17)22-24-26-27(25-22)14-5-4-13-23/h7-12,29H,3-6,14H2,1-2H3