ethyl 4-chloranyl-2-(4-octoxyphenyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-chloranyl-2-(4-octoxyphenyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-chloro-2-(4-octoxyphenyl)pyrimidine-5-carboxylate CAS Name: 4-chloro-2-(4-octoxyphenyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-2-(4-octoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 4-chloro-2-(4-octoxyphenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C(=O)OCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C(=O)OCC

InChI

InChI=1S/C21H27ClN2O3/c1-3-5-6-7-8-9-14-27-17-12-10-16(11-13-17)20-23-15-18(19(22)24-20)21(25)26-4-2/h10-13,15H,3-9,14H2,1-2H3