1-cyclohexyl-5-[[2,5-dimethyl-1-(4-prop-2-enoxyphenyl)pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-cyclohexyl-5-[[2,5-dimethyl-1-(4-prop-2-enoxyphenyl)pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[1-(4-allyloxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[[2,5-dimethyl-1-(4-prop-2-enoxyphenyl)-3-pyrrolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[[2,5-dimethyl-1-(4-prop-2-enoxyphenyl)pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[1-(4-allyloxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-cyclohexyl-barbituric acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4/c1-4-14-33-22-12-10-21(11-13-22)28-17(2)15-19(18(28)3)16-23-24(30)27-26(32)29(25(23)31)20-8-6-5-7-9-20/h4,10-13,15-16,20H,1,5-9,14H2,2-3H3,(H,27,30,32)