[3-[[2-(4-tert-butylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 2-fluoranylbenzoate

Systemtic Name: [3-[[2-(4-tert-butylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 2-fluoranylbenzoate Openeye Name: [3-[[2-(4-tert-butylphenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [3-[[2-(4-tert-butylphenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [3-[[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [3-[[2-(4-tert-butylphenyl)-5-keto-2-oxazolin-4-ylidene]methyl]phenyl] ester Formula: C27H22FNO4 MolecularWeight: 443.466283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)OC(=O)C4=CC=CC=C4F)C(=O)O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)OC(=O)C4=CC=CC=C4F)C(=O)O2

InChI

InChI=1S/C27H22FNO4/c1-27(2,3)19-13-11-18(12-14-19)24-29-23(26(31)33-24)16-17-7-6-8-20(15-17)32-25(30)21-9-4-5-10-22(21)28/h4-16H,1-3H3