1-(3-chlorophenyl)-5-[(3-ethoxy-4-octoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3-chlorophenyl)-5-[(3-ethoxy-4-octoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3-chlorophenyl)-5-[(3-ethoxy-4-octoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-chlorophenyl)-5-[(3-ethoxy-4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-chlorophenyl)-5-[(3-ethoxy-4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3-chlorophenyl)-5-(3-ethoxy-4-octoxy-benzylidene)barbituric acid Formula: C27H31ClN2O5 MolecularWeight: 498.99844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Cl)OCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Cl)OCC

InChI

InChI=1S/C27H31ClN2O5/c1-3-5-6-7-8-9-15-35-23-14-13-19(17-24(23)34-4-2)16-22-25(31)29-27(33)30(26(22)32)21-12-10-11-20(28)18-21/h10-14,16-18H,3-9,15H2,1-2H3,(H,29,31,33)