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

Systemtic Name: 2-methyloctyl 4-(2-octoxyphenyl)pyrimidine-5-carboxylate Openeye Name: 2-methyloctyl 4-(2-octoxyphenyl)pyrimidine-5-carboxylate CAS Name: 4-(2-octoxyphenyl)-5-pyrimidinecarboxylic acid 2-methyloctyl ester IUPAC Name: 2-methyloctyl 4-(2-octoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 4-(2-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=CC=C1C2=NC=NC=C2C(=O)OCC(C)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=NC=NC=C2C(=O)OCC(C)CCCCCC

InChI

InChI=1S/C28H42N2O3/c1-4-6-8-10-11-15-19-32-26-18-14-13-17-24(26)27-25(20-29-22-30-27)28(31)33-21-23(3)16-12-9-7-5-2/h13-14,17-18,20,22-23H,4-12,15-16,19,21H2,1-3H3