(7E)-N-[(4-fluoranylphenyl)methyl]-7-[(2S)-2-octyl-5-oxidanylidene-cyclopent-3-en-1-ylidene]heptanamide

Systemtic Name: (7E)-N-[(4-fluoranylphenyl)methyl]-7-[(2S)-2-octyl-5-oxidanylidene-cyclopent-3-en-1-ylidene]heptanamide Openeye Name: (7E)-N-[(4-fluoranylphenyl)methyl]-7-[(2S)-2-octyl-5-oxo-cyclopent-3-en-1-ylidene]heptanamide CAS Name: (7E)-N-[(4-fluoranylphenyl)methyl]-7-[(2S)-2-octyl-5-oxo-1-cyclopent-3-enylidene]heptanamide IUPAC Name: (7E)-N-[(4-fluoranylphenyl)methyl]-7-[(2S)-2-octyl-5-oxocyclopent-3-en-1-ylidene]heptanamide Traditional Name: (7E)-N-(4-fluoranylbenzyl)-7-[(5S)-2-keto-5-octyl-cyclopent-3-en-1-ylidene]enanthamide Formula: C27H38FNO2 MolecularWeight: 426.597058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C=CC(=O)C1=CCCCCCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCCCCCCC[C@H]\1C=CC(=O)/C1=C/CCCCCC(=O)NCC2=CC=C(C=C2)[18F]

InChI

InChI=1S/C27H38FNO2/c1-2-3-4-5-6-9-12-23-17-20-26(30)25(23)13-10-7-8-11-14-27(31)29-21-22-15-18-24(28)19-16-22/h13,15-20,23H,2-12,14,21H2,1H3,(H,29,31)/b25-13+/t23-/m0/s1/i28-1