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

Systemtic Name: [2,3-bis(fluoranyl)-4-propoxy-phenyl] 4-(1-heptan-4-ylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2,3-difluoro-4-propoxy-phenyl) 4-[1-(1-propylbutyl)cyclohexyl]cyclohexanecarboxylate CAS Name: 4-(1-heptan-4-ylcyclohexyl)-1-cyclohexanecarboxylic acid (2,3-difluoro-4-propoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-propoxyphenyl) 4-(1-heptan-4-ylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-[1-(1-propylbutyl)cyclohexyl]cyclohexanecarboxylic acid (2,3-difluoro-4-propoxy-phenyl) ester Formula: C29H44F2O3 MolecularWeight: 478.654666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44F2O3/c1-4-10-22(11-5-2)29(18-8-7-9-19-29)23-14-12-21(13-15-23)28(32)34-25-17-16-24(33-20-6-3)26(30)27(25)31/h16-17,21-23H,4-15,18-20H2,1-3H3