[4-[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]phenyl] cyclohexanecarboxylate

Systemtic Name: [4-[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]phenyl] cyclohexanecarboxylate Openeye Name: [4-[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]phenyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [4-[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]phenyl] ester Formula: C22H20ClFO3 MolecularWeight: 386.843803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=CC=C(C=C2)C(=O)C=CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=CC=C(C=C2)C(=O)/C=C/C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H20ClFO3/c23-19-7-4-8-20(24)18(19)13-14-21(25)15-9-11-17(12-10-15)27-22(26)16-5-2-1-3-6-16/h4,7-14,16H,1-3,5-6H2/b14-13+