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

Systemtic Name: methyl (4S,5R)-4-(3-bromanyl-4-butoxy-5-methoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4S,5R)-4-(3-bromo-4-butoxy-5-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-bromo-4-butoxy-5-methoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-4-(3-bromo-4-butoxy-5-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3-bromo-4-butoxy-5-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C18H23BrN2O5 MolecularWeight: 427.28962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C2C(C(=C)NC(=O)N2)C(=O)OC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OC)OC

InChI

InChI=1S/C18H23BrN2O5/c1-5-6-7-26-16-12(19)8-11(9-13(16)24-3)15-14(17(22)25-4)10(2)20-18(23)21-15/h8-9,14-15H,2,5-7H2,1,3-4H3,(H2,20,21,23)/t14-,15+/m0/s1