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

Systemtic Name: 4-[3-[[1-cyclohexyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid Openeye Name: 4-[3-[(1-cyclohexyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid CAS Name: 4-[3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1-pyrrolyl]-3-methylbenzoic acid IUPAC Name: 4-[3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoic acid Traditional Name: 4-[3-[(1-cyclohexyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C25H27N3O5/c1-14-11-17(24(31)32)9-10-21(14)27-15(2)12-18(16(27)3)13-20-22(29)26-25(33)28(23(20)30)19-7-5-4-6-8-19/h9-13,19H,4-8H2,1-3H3,(H,31,32)(H,26,29,33)