(4-cyano-3-fluoranyl-phenyl) 1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane-1-carboxylate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexanecarboxylate CAS Name: 1-[4-[(E)-prop-1-enyl]cyclohexyl]-1-cyclohexanecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane-1-carboxylate Traditional Name: 1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexanecarboxylic acid (4-cyano-3-fluoro-phenyl) ester Formula: C23H28FNO2 MolecularWeight: 369.472323

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1CCC(CC1)C2(CCCCC2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

C/C=C/C1CCC(CC1)C2(CCCCC2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C23H28FNO2/c1-2-6-17-7-10-19(11-8-17)23(13-4-3-5-14-23)22(26)27-20-12-9-18(16-25)21(24)15-20/h2,6,9,12,15,17,19H,3-5,7-8,10-11,13-14H2,1H3/b6-2+