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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H26N2O4/c1-4-5-6-7-12-25-18(22)16-13(2)20-19(23)21-17(16)14-8-10-15(24-3)11-9-14/h8-11,16-17H,2,4-7,12H2,1,3H3,(H2,20,21,23)/t16-,17+/m0/s1