ethyl 4-[(2-acetyloxy-5-chloranyl-phenyl)amino]-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(2-acetyloxy-5-chloranyl-phenyl)amino]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-acetoxy-5-chloro-anilino)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(2-acetyloxy-5-chloroanilino)-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-acetyloxy-5-chloroanilino)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(2-acetoxy-5-chloro-anilino)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=C(C=CC(=C2)Cl)OC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=C(C=CC(=C2)Cl)OC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O4/c1-3-28-21(27)16-12-23-19(14-7-5-4-6-8-14)25-20(16)24-17-11-15(22)9-10-18(17)29-13(2)26/h4-12H,3H2,1-2H3,(H,23,24,25)