[(1S,3R)-3-methylcyclohexyl] (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [(1S,3R)-3-methylcyclohexyl] (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [(1S,3R)-3-methylcyclohexyl] (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(1S,3R)-3-methylcyclohexyl] ester IUPAC Name: [(1S,3R)-3-methylcyclohexyl] (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-methyl-4-o-phenetyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [(1S,3R)-3-methylcyclohexyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OC3CCCC(C3)C

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H]2C(=C(NC(=O)N2)C)C(=O)O[C@H]3CCC[C@H](C3)C

InChI

InChI=1S/C21H28N2O4/c1-4-26-17-11-6-5-10-16(17)19-18(14(3)22-21(25)23-19)20(24)27-15-9-7-8-13(2)12-15/h5-6,10-11,13,15,19H,4,7-9,12H2,1-3H3,(H2,22,23,25)/t13-,15+,19-/m1/s1