2-[[4-(5-tert-butyl-2-pyridin-4-yl-phenyl)phenoxy]methyl]quinoline

Systemtic Name: 2-[[4-(5-tert-butyl-2-pyridin-4-yl-phenyl)phenoxy]methyl]quinoline Openeye Name: 2-[[4-[5-tert-butyl-2-(4-pyridyl)phenyl]phenoxy]methyl]quinoline CAS Name: 2-[[4-(5-tert-butyl-2-pyridin-4-ylphenyl)phenoxy]methyl]quinoline IUPAC Name: 2-[[4-(5-tert-butyl-2-pyridin-4-ylphenyl)phenoxy]methyl]quinoline Traditional Name: 2-[[4-[5-tert-butyl-2-(4-pyridyl)phenyl]phenoxy]methyl]quinoline Formula: C31H28N2O MolecularWeight: 444.56682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C2=CC=NC=C2)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C2=CC=NC=C2)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H28N2O/c1-31(2,3)25-11-15-28(23-16-18-32-19-17-23)29(20-25)22-9-13-27(14-10-22)34-21-26-12-8-24-6-4-5-7-30(24)33-26/h4-20H,21H2,1-3H3