ethyl (4R)-6-[(4-chloranyl-3-methyl-phenoxy)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-[(4-chloranyl-3-methyl-phenoxy)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[(4-chloro-3-methyl-phenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[(4-chloro-3-methylphenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[(4-chloro-3-methylphenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[(4-chloro-3-methyl-phenoxy)methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CC=C2)COC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN2O4/c1-3-27-20(25)18-17(12-28-15-9-10-16(22)13(2)11-15)23-21(26)24-19(18)14-7-5-4-6-8-14/h4-11,19H,3,12H2,1-2H3,(H2,23,24,26)/t19-/m1/s1