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

Systemtic Name: 5-[[4-[[1-(3,4-dimethylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[[1-(3,4-dimethylphenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]-2-furoic acid Formula: C26H22N2O8 MolecularWeight: 490.46148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(O4)C(=O)O)OC)C(=O)NC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(O4)C(=O)O)OC)C(=O)NC2=O)C

InChI

InChI=1S/C26H22N2O8/c1-14-4-6-17(10-15(14)2)28-24(30)19(23(29)27-26(28)33)11-16-5-8-20(22(12-16)34-3)35-13-18-7-9-21(36-18)25(31)32/h4-12H,13H2,1-3H3,(H,31,32)(H,27,29,33)