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

Systemtic Name: butyl (4S,5R)-4-(3-bromanyl-4-methoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: butyl (4S,5R)-4-(3-bromo-4-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-bromo-4-methoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid butyl ester IUPAC Name: butyl (4S,5R)-4-(3-bromo-4-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3-bromo-4-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid butyl ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O4/c1-4-5-8-24-16(21)14-10(2)19-17(22)20-15(14)11-6-7-13(23-3)12(18)9-11/h6-7,9,14-15H,2,4-5,8H2,1,3H3,(H2,19,20,22)/t14-,15+/m0/s1