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

Systemtic Name: cyclooctyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cyclooctyl 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 cyclooctyl ester IUPAC Name: cyclooctyl 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 cyclooctyl ester Formula: C21H27BrN2O5 MolecularWeight: 467.35348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OC3CCCCCCC3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OC3CCCCCCC3)Br)O

InChI

InChI=1S/C21H27BrN2O5/c1-12-17(20(26)29-14-8-6-4-3-5-7-9-14)18(24-21(27)23-12)13-10-15(22)19(25)16(11-13)28-2/h10-11,14,17-18,25H,1,3-9H2,2H3,(H2,23,24,27)