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

Systemtic Name: cyclooctyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclooctyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclooctyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC=C(C=C2)OC)C(=O)OC3CCCCCCC3

InChI

InChI=1S/C21H28N2O4/c1-14-18(20(24)27-17-8-6-4-3-5-7-9-17)19(23-21(25)22-14)15-10-12-16(26-2)13-11-15/h10-13,17,19H,3-9H2,1-2H3,(H2,22,23,25)/t19-/m0/s1