[4-(5-heptylpyrimidin-2-yl)phenyl] 2,3-bis(fluoranyl)-4-propyl-benzoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2,3-bis(fluoranyl)-4-propyl-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2,3-difluoro-4-propyl-benzoate CAS Name: 2,3-difluoro-4-propylbenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2,3-difluoro-4-propylbenzoate Traditional Name: 2,3-difluoro-4-propyl-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C27H30F2N2O2 MolecularWeight: 452.536106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C(=C(C=C3)CCC)F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C(=C(C=C3)CCC)F)F

InChI

InChI=1S/C27H30F2N2O2/c1-3-5-6-7-8-10-19-17-30-26(31-18-19)21-11-14-22(15-12-21)33-27(32)23-16-13-20(9-4-2)24(28)25(23)29/h11-18H,3-10H2,1-2H3