[4-[(4R,5R)-5-ethanoyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]-2-ethoxy-phenyl] benzoate

Systemtic Name: [4-[(4R,5R)-5-ethanoyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]-2-ethoxy-phenyl] benzoate Openeye Name: [4-[(4R,5R)-5-acetyl-6-methylene-2-oxo-hexahydropyrimidin-4-yl]-2-ethoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(4R,5R)-5-acetyl-6-methylene-2-oxo-1,3-diazinan-4-yl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(4R,5R)-5-acetyl-6-methylidene-2-oxo-1,3-diazinan-4-yl]-2-ethoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(4R,5R)-5-acetyl-2-keto-6-methylene-hexahydropyrimidin-4-yl]-2-ethoxy-phenyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2[C@H](C(=C)NC(=O)N2)C(=O)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-4-28-18-12-16(20-19(14(3)25)13(2)23-22(27)24-20)10-11-17(18)29-21(26)15-8-6-5-7-9-15/h5-12,19-20H,2,4H2,1,3H3,(H2,23,24,27)/t19-,20+/m1/s1