1-[4-(3,5-ditert-butylphenoxy)phenyl]-2-pyridin-3-yl-ethanone

Systemtic Name: 1-[4-(3,5-ditert-butylphenoxy)phenyl]-2-pyridin-3-yl-ethanone Openeye Name: 1-[4-(3,5-ditert-butylphenoxy)phenyl]-2-(3-pyridyl)ethanone CAS Name: 1-[4-(3,5-ditert-butylphenoxy)phenyl]-2-(3-pyridinyl)ethanone IUPAC Name: 1-[4-(3,5-ditert-butylphenoxy)phenyl]-2-pyridin-3-ylethanone Traditional Name: 1-[4-(3,5-ditert-butylphenoxy)phenyl]-2-(3-pyridyl)ethanone Formula: C27H31NO2 MolecularWeight: 401.54054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)CC3=CN=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)CC3=CN=CC=C3)C(C)(C)C

InChI

InChI=1S/C27H31NO2/c1-26(2,3)21-15-22(27(4,5)6)17-24(16-21)30-23-11-9-20(10-12-23)25(29)14-19-8-7-13-28-18-19/h7-13,15-18H,14H2,1-6H3