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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-14-18(20(24)27-16-10-6-4-3-5-7-11-16)19(23-21(25)22-14)15-9-8-12-17(13-15)26-2/h8-9,12-13,16,19H,3-7,10-11H2,1-2H3,(H2,22,23,25)