(2S)-2-[4-[(Z)-[1-(3,5-dimethylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoate

Systemtic Name: (2S)-2-[4-[(Z)-[1-(3,5-dimethylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoate Openeye Name: (2S)-2-[4-[(Z)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]propanoate CAS Name: (2S)-2-[4-[(Z)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoate IUPAC Name: (2S)-2-[4-[(Z)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]propanoate Traditional Name: (2S)-2-[4-[(Z)-[1-(3,5-dimethylphenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]propionate Formula: C22H19N2O6- MolecularWeight: 407.39606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(C)C(=O)[O-])C(=O)NC2=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)O[C@@H](C)C(=O)[O-])/C(=O)NC2=O)C

InChI

InChI=1S/C22H20N2O6/c1-12-8-13(2)10-16(9-12)24-20(26)18(19(25)23-22(24)29)11-15-4-6-17(7-5-15)30-14(3)21(27)28/h4-11,14H,1-3H3,(H,27,28)(H,23,25,29)/p-1/b18-11-/t14-/m0/s1