(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-1-pyridin-3-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-1-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-1-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-1-(3-pyridyl)prop-2-en-1-one Formula: C22H18BrNO3 MolecularWeight: 424.28722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CN=CC=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CN=CC=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H18BrNO3/c1-26-21-13-17(9-10-20(25)18-8-5-11-24-14-18)12-19(23)22(21)27-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3/b10-9+