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

Systemtic Name: 4-[[2-methoxy-4-[(E)-[1-(4-methylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-methoxy-4-[(E)-[2,4,6-trioxo-1-(p-tolyl)hexahydropyrimidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-methoxy-4-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-methoxy-4-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-methoxy-4-[(E)-[2,4,6-triketo-1-(p-tolyl)hexahydropyrimidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid Formula: C27H22N2O7 MolecularWeight: 486.47278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)OC)C(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)OC)/C(=O)NC2=O

InChI

InChI=1S/C27H22N2O7/c1-16-3-10-20(11-4-16)29-25(31)21(24(30)28-27(29)34)13-18-7-12-22(23(14-18)35-2)36-15-17-5-8-19(9-6-17)26(32)33/h3-14H,15H2,1-2H3,(H,32,33)(H,28,30,34)/b21-13+