3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl (E)-3-[4-(5-ethylpyrimidin-2-yl)phenyl]prop-2-enoate

Systemtic Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl (E)-3-[4-(5-ethylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl (E)-3-[4-(5-ethylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-ethyl-2-pyrimidinyl)phenyl]-2-propenoic acid 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl (E)-3-[4-(5-ethylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-ethylpyrimidin-2-yl)phenyl]acrylic acid 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester Formula: C25H17F17N2O2 MolecularWeight: 700.387534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CCC1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/C(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C25H17F17N2O2/c1-2-13-11-43-17(44-12-13)15-6-3-14(4-7-15)5-8-16(45)46-10-9-18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42/h3-8,11-12H,2,9-10H2,1H3/b8-5+