2-[[3-[1-phenyl-5-(2H-1,2,3,4-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline

Systemtic Name: 2-[[3-[1-phenyl-5-(2H-1,2,3,4-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline Openeye Name: 2-[[3-[1-benzyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline CAS Name: 2-[[3-[1-phenyl-5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline IUPAC Name: 2-[[3-[1-phenyl-5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline Traditional Name: 2-[[3-[1-benzyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCCC2=NNN=N2)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(CCCC2=NNN=N2)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H27N5O/c1-2-8-21(9-3-1)18-23(12-7-15-28-30-32-33-31-28)24-11-6-13-26(19-24)34-20-25-17-16-22-10-4-5-14-27(22)29-25/h1-6,8-11,13-14,16-17,19,23H,7,12,15,18,20H2,(H,30,31,32,33)