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

Systemtic Name: [4-butoxy-2,3-bis(fluoranyl)phenyl] 4-(1-heptan-4-ylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-butoxy-2,3-difluoro-phenyl) 4-[1-(1-propylbutyl)cyclohexyl]cyclohexanecarboxylate CAS Name: 4-(1-heptan-4-ylcyclohexyl)-1-cyclohexanecarboxylic acid (4-butoxy-2,3-difluorophenyl) ester IUPAC Name: (4-butoxy-2,3-difluorophenyl) 4-(1-heptan-4-ylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-[1-(1-propylbutyl)cyclohexyl]cyclohexanecarboxylic acid (4-butoxy-2,3-difluoro-phenyl) ester Formula: C30H46F2O3 MolecularWeight: 492.681246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3(CCCCC3)C(CCC)CCC)F)F

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3(CCCCC3)C(CCC)CCC)F)F

InChI

InChI=1S/C30H46F2O3/c1-4-7-21-34-25-17-18-26(28(32)27(25)31)35-29(33)22-13-15-24(16-14-22)30(19-9-8-10-20-30)23(11-5-2)12-6-3/h17-18,22-24H,4-16,19-21H2,1-3H3