[4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-hexoxycyclohexyl)carbonyloxybenzoate

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-hexoxycyclohexyl)carbonyloxybenzoate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-hexoxycyclohexanecarbonyl)oxybenzoate CAS Name: 4-[(4-hexoxycyclohexyl)-oxomethoxy]benzoic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-hexoxycyclohexanecarbonyl)oxybenzoate Traditional Name: 4-(4-hexoxycyclohexanecarbonyl)oxybenzoic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C27H29F2NO5 MolecularWeight: 485.519666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCOC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C27H29F2NO5/c1-2-3-4-5-16-33-21-11-6-18(7-12-21)26(31)34-22-13-8-19(9-14-22)27(32)35-23-15-10-20(17-30)24(28)25(23)29/h8-10,13-15,18,21H,2-7,11-12,16H2,1H3