2-propyl-3-[[4-(2H-1,2,3,4-tetrazol-5-ylmethyl)phenoxy]methyl]cyclohexa-1,3-dien-1-ol

Systemtic Name: 2-propyl-3-[[4-(2H-1,2,3,4-tetrazol-5-ylmethyl)phenoxy]methyl]cyclohexa-1,3-dien-1-ol Openeye Name: 2-propyl-3-[[4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]cyclohexa-1,3-dien-1-ol CAS Name: 2-propyl-3-[[4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]-1-cyclohexa-1,3-dienol IUPAC Name: 2-propyl-3-[[4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]cyclohexa-1,3-dien-1-ol Traditional Name: 2-propyl-3-[[4-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]cyclohexa-1,3-dien-1-ol Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(CCC=C1COC2=CC=C(C=C2)CC3=NNN=N3)O

Isomeric SMILES

CCCC1=C(CCC=C1COC2=CC=C(C=C2)CC3=NNN=N3)O

InChI

InChI=1S/C18H22N4O2/c1-2-4-16-14(5-3-6-17(16)23)12-24-15-9-7-13(8-10-15)11-18-19-21-22-20-18/h5,7-10,23H,2-4,6,11-12H2,1H3,(H,19,20,21,22)