[2,3-bis(fluoranyl)-4-(5-methylpyrimidin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [2,3-bis(fluoranyl)-4-(5-methylpyrimidin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [2,3-difluoro-4-(5-methylpyrimidin-2-yl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [2,3-difluoro-4-(5-methyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2,3-difluoro-4-(5-methylpyrimidin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [2,3-difluoro-4-(5-methylpyrimidin-2-yl)phenyl] ester Formula: C23H28F2N2O2 MolecularWeight: 402.477426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C3=NC=C(C=N3)C)F)F

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C3=NC=C(C=N3)C)F)F

InChI

InChI=1S/C23H28F2N2O2/c1-3-4-5-6-16-7-9-17(10-8-16)23(28)29-19-12-11-18(20(24)21(19)25)22-26-13-15(2)14-27-22/h11-14,16-17H,3-10H2,1-2H3