2-cyanoethyl (5S,6R)-4-methylidene-2-oxidanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate

Systemtic Name: 2-cyanoethyl (5S,6R)-4-methylidene-2-oxidanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: 2-cyanoethyl (5S,6R)-4-methylene-2-oxo-6-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (5S,6R)-4-methylidene-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-2-keto-4-methylene-6-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-5-carboxylic acid 2-cyanoethyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(C(=C)NC(=O)N2)C(=O)OCCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCCC#N

InChI

InChI=1S/C18H21N3O6/c1-10-14(17(22)27-7-5-6-19)15(21-18(23)20-10)11-8-12(24-2)16(26-4)13(9-11)25-3/h8-9,14-15H,1,5,7H2,2-4H3,(H2,20,21,23)/t14-,15+/m1/s1