(4-cyano-3-fluoranyl-phenyl) 4-[5-[(E)-pent-1-enyl]pyrimidin-2-yl]cyclohexane-1-carboxylate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-[5-[(E)-pent-1-enyl]pyrimidin-2-yl]cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-[5-[(E)-pent-1-enyl]pyrimidin-2-yl]cyclohexanecarboxylate CAS Name: 4-[5-[(E)-pent-1-enyl]-2-pyrimidinyl]-1-cyclohexanecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-[5-[(E)-pent-1-enyl]pyrimidin-2-yl]cyclohexane-1-carboxylate Traditional Name: 4-[5-[(E)-pent-1-enyl]pyrimidin-2-yl]cyclohexanecarboxylic acid (4-cyano-3-fluoro-phenyl) ester Formula: C23H24FN3O2 MolecularWeight: 393.453963

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1=CN=C(N=C1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCC/C=C/C1=CN=C(N=C1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C23H24FN3O2/c1-2-3-4-5-16-14-26-22(27-15-16)17-6-8-18(9-7-17)23(28)29-20-11-10-19(13-25)21(24)12-20/h4-5,10-12,14-15,17-18H,2-3,6-9H2,1H3/b5-4+