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

Systemtic Name: pentyl (4S,5R)-4-(2-ethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: pentyl (4S,5R)-4-(2-ethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2-ethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid pentyl ester IUPAC Name: pentyl (4S,5R)-4-(2-ethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-o-phenetyl-hexahydropyrimidine-5-carboxylic acid amyl ester Formula: C19H26N2O4 MolecularWeight: 346.42074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=CC=C2OCC

Isomeric SMILES

CCCCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC=CC=C2OCC

InChI

InChI=1S/C19H26N2O4/c1-4-6-9-12-25-18(22)16-13(3)20-19(23)21-17(16)14-10-7-8-11-15(14)24-5-2/h7-8,10-11,16-17H,3-6,9,12H2,1-2H3,(H2,20,21,23)/t16-,17+/m0/s1