3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate

Systemtic Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate CAS Name: 3-[4-(5-butyl-2-pyrimidinyl)phenyl]propanoic 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 3-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 3-[4-(5-butylpyrimidin-2-yl)phenyl]propionic acid 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester Formula: C27H23F17N2O2 MolecularWeight: 730.456574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(=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

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(=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/C27H23F17N2O2/c1-2-3-4-16-13-45-19(46-14-16)17-8-5-15(6-9-17)7-10-18(47)48-12-11-20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)44/h5-6,8-9,13-14H,2-4,7,10-12H2,1H3