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

Systemtic Name: cyclooctyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclooctyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OC4CCCCCCC4

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OC4CCCCCCC4

InChI

InChI=1S/C21H26N2O5/c1-13-18(20(24)28-15-7-5-3-2-4-6-8-15)19(23-21(25)22-13)14-9-10-16-17(11-14)27-12-26-16/h9-11,15,19H,2-8,12H2,1H3,(H2,22,23,25)