cycloheptyl 6-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: cycloheptyl 6-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: cycloheptyl 6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 6-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid cycloheptyl ester Formula: C21H27ClN2O5 MolecularWeight: 422.90248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OC3CCCCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OC3CCCCCC3

InChI

InChI=1S/C21H27ClN2O5/c1-12-17(20(26)29-14-8-6-4-5-7-9-14)18(23-21(27)24(12)2)13-10-15(22)19(25)16(11-13)28-3/h10-11,14,18,25H,4-9H2,1-3H3,(H,23,27)