[2,3-bis(fluoranyl)-4-methoxy-phenyl] 4-(1-heptan-4-ylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: [2,3-bis(fluoranyl)-4-methoxy-phenyl] 4-(1-heptan-4-ylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2,3-difluoro-4-methoxy-phenyl) 4-[1-(1-propylbutyl)cyclohexyl]cyclohexanecarboxylate CAS Name: 4-(1-heptan-4-ylcyclohexyl)-1-cyclohexanecarboxylic acid (2,3-difluoro-4-methoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-methoxyphenyl) 4-(1-heptan-4-ylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-[1-(1-propylbutyl)cyclohexyl]cyclohexanecarboxylic acid (2,3-difluoro-4-methoxy-phenyl) ester Formula: C27H40F2O3 MolecularWeight: 450.601506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1(CCCCC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)OC)F)F

Isomeric SMILES

CCCC(CCC)C1(CCCCC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)OC)F)F

InChI

InChI=1S/C27H40F2O3/c1-4-9-20(10-5-2)27(17-7-6-8-18-27)21-13-11-19(12-14-21)26(30)32-23-16-15-22(31-3)24(28)25(23)29/h15-16,19-21H,4-14,17-18H2,1-3H3