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

Systemtic Name: butyl (4R,5S)-4-(2-chlorophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: butyl (4R,5S)-4-(2-chlorophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(2-chlorophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid butyl ester IUPAC Name: butyl (4R,5S)-4-(2-chlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(2-chlorophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid butyl ester Formula: C16H19ClN2O3 MolecularWeight: 322.78666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=CC=C2Cl

InChI

InChI=1S/C16H19ClN2O3/c1-3-4-9-22-15(20)13-10(2)18-16(21)19-14(13)11-7-5-6-8-12(11)17/h5-8,13-14H,2-4,9H2,1H3,(H2,18,19,21)/t13-,14+/m1/s1