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

Systemtic Name: cycloheptyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cycloheptyl 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 cycloheptyl ester IUPAC Name: cycloheptyl 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 cycloheptyl ester Formula: C20H25BrN2O5 MolecularWeight: 453.3269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OC3CCCCCC3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OC3CCCCCC3)Br)O

InChI

InChI=1S/C20H25BrN2O5/c1-11-16(19(25)28-13-7-5-3-4-6-8-13)17(23-20(26)22-11)12-9-14(21)18(24)15(10-12)27-2/h9-10,13,16-17,24H,1,3-8H2,2H3,(H2,22,23,26)