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

Systemtic Name: pentyl (4S,5R)-4-(3-bromanyl-4-methoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: pentyl (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 pentyl ester IUPAC Name: pentyl (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 amyl ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O4/c1-4-5-6-9-25-17(22)15-11(2)20-18(23)21-16(15)12-7-8-14(24-3)13(19)10-12/h7-8,10,15-16H,2,4-6,9H2,1,3H3,(H2,20,21,23)/t15-,16+/m0/s1