[3-fluoranyl-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] prop-2-enoate

Systemtic Name: [3-fluoranyl-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] prop-2-enoate Openeye Name: [3-fluoro-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] prop-2-enoate CAS Name: 2-propenoic acid [3-fluoro-4-[5-(4-octylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [3-fluoro-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] prop-2-enoate Traditional Name: acrylic acid [3-fluoro-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C27H29FN2O2 MolecularWeight: 432.529763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=C(C=C(C=C3)OC(=O)C=C)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=C(C=C(C=C3)OC(=O)C=C)F

InChI

InChI=1S/C27H29FN2O2/c1-3-5-6-7-8-9-10-20-11-13-21(14-12-20)22-18-29-27(30-19-22)24-16-15-23(17-25(24)28)32-26(31)4-2/h4,11-19H,2-3,5-10H2,1H3