cyclohexyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: cyclohexyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cyclohexyl 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid cyclohexyl ester Formula: C19H23BrN2O5 MolecularWeight: 439.30032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OC3CCCCC3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OC3CCCCC3)Br)O

InChI

InChI=1S/C19H23BrN2O5/c1-10-15(18(24)27-12-6-4-3-5-7-12)16(22-19(25)21-10)11-8-13(20)17(23)14(9-11)26-2/h8-9,12,15-16,23H,1,3-7H2,2H3,(H2,21,22,25)