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

Systemtic Name: hexyl (4S,5R)-4-(4-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: hexyl (4S,5R)-4-(4-bromophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(4-bromophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid hexyl ester IUPAC Name: hexyl (4S,5R)-4-(4-bromophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-bromophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid hexyl ester Formula: C18H23BrN2O3 MolecularWeight: 395.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O3/c1-3-4-5-6-11-24-17(22)15-12(2)20-18(23)21-16(15)13-7-9-14(19)10-8-13/h7-10,15-16H,2-6,11H2,1H3,(H2,20,21,23)/t15-,16+/m0/s1