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

Systemtic Name: 2-[4-[[5-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butyl]-1,2,3,4-tetrazol-2-yl]methyl]phenyl]ethanenitrile Openeye Name: 2-[4-[[5-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butyl]tetrazol-2-yl]methyl]phenyl]acetonitrile CAS Name: 2-[4-[[5-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl]-2-tetrazolyl]methyl]phenyl]acetonitrile IUPAC Name: 2-[4-[[5-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl]tetrazol-2-yl]methyl]phenyl]acetonitrile Traditional Name: 2-[4-[[5-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butyl]tetrazol-2-yl]methyl]phenyl]acetonitrile Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NN(N=N2)CC3=CC=C(C=C3)CC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NN(N=N2)CC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C25H29N5O3/c1-3-6-22-23(13-12-21(18(2)31)25(22)32)33-16-5-4-7-24-27-29-30(28-24)17-20-10-8-19(9-11-20)14-15-26/h8-13,32H,3-7,14,16-17H2,1-2H3