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

Systemtic Name: cyclooctyl 4-(2-bromophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclooctyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-bromophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester Formula: C20H25BrN2O3 MolecularWeight: 421.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=CC=C2Br)C(=O)OC3CCCCCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=CC=C2Br)C(=O)OC3CCCCCCC3

InChI

InChI=1S/C20H25BrN2O3/c1-13-17(19(24)26-14-9-5-3-2-4-6-10-14)18(23-20(25)22-13)15-11-7-8-12-16(15)21/h7-8,11-12,14,18H,2-6,9-10H2,1H3,(H2,22,23,25)