ethyl (2R)-2-[2-bromanyl-4-[(4S,5R)-5-ethanoyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]-6-ethoxy-phenoxy]propanoate

Systemtic Name: ethyl (2R)-2-[2-bromanyl-4-[(4S,5R)-5-ethanoyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]-6-ethoxy-phenoxy]propanoate Openeye Name: ethyl (2R)-2-[4-[(4S,5R)-5-acetyl-6-methylene-2-oxo-hexahydropyrimidin-4-yl]-2-bromo-6-ethoxy-phenoxy]propanoate CAS Name: (2R)-2-[4-[(4S,5R)-5-acetyl-6-methylene-2-oxo-1,3-diazinan-4-yl]-2-bromo-6-ethoxyphenoxy]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[4-[(4S,5R)-5-acetyl-6-methylidene-2-oxo-1,3-diazinan-4-yl]-2-bromo-6-ethoxyphenoxy]propanoate Traditional Name: (2R)-2-[4-[(4S,5R)-5-acetyl-2-keto-6-methylene-hexahydropyrimidin-4-yl]-2-bromo-6-ethoxy-phenoxy]propionic acid ethyl ester Formula: C20H25BrN2O6 MolecularWeight: 469.3263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)C)Br)OC(C)C(=O)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)C)Br)O[C@H](C)C(=O)OCC

InChI

InChI=1S/C20H25BrN2O6/c1-6-27-15-9-13(17-16(11(4)24)10(3)22-20(26)23-17)8-14(21)18(15)29-12(5)19(25)28-7-2/h8-9,12,16-17H,3,6-7H2,1-2,4-5H3,(H2,22,23,26)/t12-,16-,17-/m1/s1