[4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexyl] 4-(4-propylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexyl] 4-(4-propylphenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexyl] 4-(4-propylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-propylphenyl)-1-cyclohexanecarboxylic acid [4-[(E)-2-cyano-2-fluoroethenyl]cyclohexyl] ester IUPAC Name: [4-[(E)-2-cyano-2-fluoroethenyl]cyclohexyl] 4-(4-propylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-propylphenyl)cyclohexanecarboxylic acid [4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexyl] ester Formula: C25H32FNO2 MolecularWeight: 397.525483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)C=C(C#N)F

Isomeric SMILES

CCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)/C=C(\C#N)/F

InChI

InChI=1S/C25H32FNO2/c1-2-3-18-4-8-20(9-5-18)21-10-12-22(13-11-21)25(28)29-24-14-6-19(7-15-24)16-23(26)17-27/h4-5,8-9,16,19,21-22,24H,2-3,6-7,10-15H2,1H3/b23-16+