ethyl 2-[4-[[2-butyl-6-(2-oxidanylidene-1,3-diazinan-1-yl)benzimidazol-1-yl]methyl]phenoxy]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[4-[[2-butyl-6-(2-oxidanylidene-1,3-diazinan-1-yl)benzimidazol-1-yl]methyl]phenoxy]-2-phenyl-ethanoate Openeye Name: ethyl 2-[4-[[2-butyl-6-(2-oxohexahydropyrimidin-1-yl)benzimidazol-1-yl]methyl]phenoxy]-2-phenyl-acetate CAS Name: 2-[4-[[2-butyl-6-(2-oxo-1,3-diazinan-1-yl)-1-benzimidazolyl]methyl]phenoxy]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[2-butyl-6-(2-oxo-1,3-diazinan-1-yl)benzimidazol-1-yl]methyl]phenoxy]-2-phenylacetate Traditional Name: 2-[4-[[2-butyl-6-(2-ketohexahydropyrimidin-1-yl)benzimidazol-1-yl]methyl]phenoxy]-2-phenyl-acetic acid ethyl ester Formula: C32H36N4O4 MolecularWeight: 540.65264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)OCC)C=C(C=C2)N5CCCNC5=O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)OCC)C=C(C=C2)N5CCCNC5=O

InChI

InChI=1S/C32H36N4O4/c1-3-5-12-29-34-27-18-15-25(35-20-9-19-33-32(35)38)21-28(27)36(29)22-23-13-16-26(17-14-23)40-30(31(37)39-4-2)24-10-7-6-8-11-24/h6-8,10-11,13-18,21,30H,3-5,9,12,19-20,22H2,1-2H3,(H,33,38)