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

Systemtic Name: cycloheptyl 4-(3-bromanyl-4-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cycloheptyl 4-(3-bromo-4-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester Formula: C20H25BrN2O4 MolecularWeight: 437.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC)Br)C(=O)OC3CCCCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC)Br)C(=O)OC3CCCCCC3

InChI

InChI=1S/C20H25BrN2O4/c1-12-17(19(24)27-14-7-5-3-4-6-8-14)18(23-20(25)22-12)13-9-10-16(26-2)15(21)11-13/h9-11,14,18H,3-8H2,1-2H3,(H2,22,23,25)