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

Systemtic Name: 3-[3-[[1-(4-fluorophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[3-[[1-(4-fluorophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-4-methyl-benzoic acid CAS Name: 3-[3-[[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-1-pyrrolyl]-4-methylbenzoic acid IUPAC Name: 3-[3-[[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]-4-methylbenzoic acid Traditional Name: 3-[3-[[1-(4-fluorophenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-4-methyl-benzoic acid Formula: C25H20FN3O5 MolecularWeight: 461.441803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H20FN3O5/c1-13-4-5-16(24(32)33)12-21(13)28-14(2)10-17(15(28)3)11-20-22(30)27-25(34)29(23(20)31)19-8-6-18(26)7-9-19/h4-12H,1-3H3,(H,32,33)(H,27,30,34)