2-[[(E)-3-(4-cyclohexylphenyl)but-2-enoyl]amino]-5-fluoranyl-benzoic acid

Systemtic Name: 2-[[(E)-3-(4-cyclohexylphenyl)but-2-enoyl]amino]-5-fluoranyl-benzoic acid Openeye Name: 2-[[(E)-3-(4-cyclohexylphenyl)but-2-enoyl]amino]-5-fluoro-benzoic acid CAS Name: 2-[[(E)-3-(4-cyclohexylphenyl)-1-oxobut-2-enyl]amino]-5-fluorobenzoic acid IUPAC Name: 2-[[(E)-3-(4-cyclohexylphenyl)but-2-enoyl]amino]-5-fluorobenzoic acid Traditional Name: 2-[[(E)-3-(4-cyclohexylphenyl)but-2-enoyl]amino]-5-fluoro-benzoic acid Formula: C23H24FNO3 MolecularWeight: 381.439963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=C(C=C1)F)C(=O)O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

C/C(=C\C(=O)NC1=C(C=C(C=C1)F)C(=O)O)/C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C23H24FNO3/c1-15(16-7-9-18(10-8-16)17-5-3-2-4-6-17)13-22(26)25-21-12-11-19(24)14-20(21)23(27)28/h7-14,17H,2-6H2,1H3,(H,25,26)(H,27,28)/b15-13+