4-[[4-[[1-(3-fluorophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[[1-(3-fluorophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[[1-(3-fluorophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[[1-(3-fluorophenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C26H19FN2O7 MolecularWeight: 490.436663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)F)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)F)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H19FN2O7/c1-35-22-12-16(7-10-21(22)36-14-15-5-8-17(9-6-15)25(32)33)11-20-23(30)28-26(34)29(24(20)31)19-4-2-3-18(27)13-19/h2-13H,14H2,1H3,(H,32,33)(H,28,30,34)