cyclooctyl 4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cyclooctyl 4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclooctyl 4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-hydroxy-3-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)OC)C(=O)OC3CCCCCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)OC)C(=O)OC3CCCCCCC3

InChI

InChI=1S/C21H28N2O5/c1-13-18(20(25)28-15-8-6-4-3-5-7-9-15)19(23-21(26)22-13)14-10-11-16(24)17(12-14)27-2/h10-12,15,19,24H,3-9H2,1-2H3,(H2,22,23,26)