cyclooctyl 4-(3-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: cyclooctyl 4-(3-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cyclooctyl 4-(3-bromophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3-bromophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl 4-(3-bromophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(3-bromophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid cyclooctyl ester Formula: C20H25BrN2O3 MolecularWeight: 421.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)OC3CCCCCCC3

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)OC3CCCCCCC3

InChI

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