[2-fluoranyl-4-[4-(5-nonylpyrimidin-2-yl)phenyl]phenyl] 2-methylheptanoate

Systemtic Name: [2-fluoranyl-4-[4-(5-nonylpyrimidin-2-yl)phenyl]phenyl] 2-methylheptanoate Openeye Name: [2-fluoro-4-[4-(5-nonylpyrimidin-2-yl)phenyl]phenyl] 2-methylheptanoate CAS Name: 2-methylheptanoic acid [2-fluoro-4-[4-(5-nonyl-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [2-fluoro-4-[4-(5-nonylpyrimidin-2-yl)phenyl]phenyl] 2-methylheptanoate Traditional Name: 2-methylenanthic acid [2-fluoro-4-[4-(5-nonylpyrimidin-2-yl)phenyl]phenyl] ester Formula: C33H43FN2O2 MolecularWeight: 518.705123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC(=C(C=C3)OC(=O)C(C)CCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC(=C(C=C3)OC(=O)C(C)CCCCC)F

InChI

InChI=1S/C33H43FN2O2/c1-4-6-8-9-10-11-13-15-26-23-35-32(36-24-26)28-18-16-27(17-19-28)29-20-21-31(30(34)22-29)38-33(37)25(3)14-12-7-5-2/h16-25H,4-15H2,1-3H3