(5E)-1-butyl-5-[(4-octoxyphenyl)methylidene]-3-phenethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-1-butyl-5-[(4-octoxyphenyl)methylidene]-3-phenethyl-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-butyl-5-[(4-octoxyphenyl)methylene]-3-phenethyl-hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-1-butyl-5-[(4-octoxyphenyl)methylidene]-3-phenethyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-1-butyl-5-[(4-octoxyphenyl)methylidene]-3-phenethyl-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-butyl-5-(4-octoxybenzylidene)-3-phenethyl-barbituric acid Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)CCC3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)N(C2=O)CCC3=CC=CC=C3)CCCC

InChI

InChI=1S/C31H40N2O4/c1-3-5-7-8-9-13-23-37-27-18-16-26(17-19-27)24-28-29(34)32(21-6-4-2)31(36)33(30(28)35)22-20-25-14-11-10-12-15-25/h10-12,14-19,24H,3-9,13,20-23H2,1-2H3/b28-24+