2-methyloctyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate

Systemtic Name: 2-methyloctyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Openeye Name: 2-methyloctyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-octoxyphenyl)-5-pyrimidinecarboxylic acid 2-methyloctyl ester IUPAC Name: 2-methyloctyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-octoxyphenyl)pyrimidine-5-carboxylic acid 2-methyloctyl ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O3/c1-4-6-8-10-11-13-19-32-26-17-15-24(16-18-26)27-29-20-25(21-30-27)28(31)33-22-23(3)14-12-9-7-5-2/h15-18,20-21,23H,4-14,19,22H2,1-3H3