2-[2-(5-bromanylnaphthalen-1-yl)-5-cyano-6-(naphthalen-1-ylmethyl)pyrimidin-4-yl]oxyethanoate

Systemtic Name: 2-[2-(5-bromanylnaphthalen-1-yl)-5-cyano-6-(naphthalen-1-ylmethyl)pyrimidin-4-yl]oxyethanoate Openeye Name: 2-[2-(5-bromo-1-naphthyl)-5-cyano-6-(1-naphthylmethyl)pyrimidin-4-yl]oxyacetate CAS Name: 2-[[2-(5-bromo-1-naphthalenyl)-5-cyano-6-(1-naphthalenylmethyl)-4-pyrimidinyl]oxy]acetate IUPAC Name: 2-[2-(5-bromonaphthalen-1-yl)-5-cyano-6-(naphthalen-1-ylmethyl)pyrimidin-4-yl]oxyacetate Traditional Name: 2-[2-(5-bromo-1-naphthyl)-5-cyano-6-(1-naphthylmethyl)pyrimidin-4-yl]oxyacetate Formula: C28H17BrN3O3- MolecularWeight: 523.35688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=C(C(=NC(=N3)C4=CC=CC5=C4C=CC=C5Br)OCC(=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=C(C(=NC(=N3)C4=CC=CC5=C4C=CC=C5Br)OCC(=O)[O-])C#N

InChI

InChI=1S/C28H18BrN3O3/c29-24-13-5-10-20-21(24)11-4-12-22(20)27-31-25(23(15-30)28(32-27)35-16-26(33)34)14-18-8-3-7-17-6-1-2-9-19(17)18/h1-13H,14,16H2,(H,33,34)/p-1