methyl 2-[7-methoxy-5-[4-[2,2,2-tris(fluoranyl)ethoxy]pyrimidin-2-yl]oxy-7-azabicyclo[4.1.0]hepta-1(6),2,4-trien-4-yl]ethanoate

Systemtic Name: methyl 2-[7-methoxy-5-[4-[2,2,2-tris(fluoranyl)ethoxy]pyrimidin-2-yl]oxy-7-azabicyclo[4.1.0]hepta-1(6),2,4-trien-4-yl]ethanoate Openeye Name: methyl 2-[7-methoxy-5-[4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]oxy-7-azabicyclo[4.1.0]hepta-1(6),2,4-trien-4-yl]acetate CAS Name: 2-[7-methoxy-5-[[4-(2,2,2-trifluoroethoxy)-2-pyrimidinyl]oxy]-7-azabicyclo[4.1.0]hepta-1(6),2,4-trien-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-methoxy-5-[4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]oxy-7-azabicyclo[4.1.0]hepta-1(6),2,4-trien-4-yl]acetate Traditional Name: 2-[7-methoxy-5-[4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]oxy-7-azabicyclo[4.1.0]hepta-1(6),2,4-trien-4-yl]acetic acid methyl ester Formula: C16H14F3N3O5 MolecularWeight: 385.29467

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C2=C(N2OC)C=C1)OC3=NC=CC(=N3)OCC(F)(F)F

Isomeric SMILES

COC(=O)CC1=C(C2=C(N2OC)C=C1)OC3=NC=CC(=N3)OCC(F)(F)F

InChI

InChI=1S/C16H14F3N3O5/c1-24-12(23)7-9-3-4-10-13(22(10)25-2)14(9)27-15-20-6-5-11(21-15)26-8-16(17,18)19/h3-6H,7-8H2,1-2H3