ethyl 2-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O4/c1-4-28-21(25)16-12-23-20(13-5-8-15(22)9-6-13)24-19(16)14-7-10-17(26-2)18(11-14)27-3/h5-12H,4H2,1-3H3