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

Systemtic Name: 3-methyloctyl 4-(2-octoxyphenyl)pyrimidine-5-carboxylate Openeye Name: 3-methyloctyl 4-(2-octoxyphenyl)pyrimidine-5-carboxylate CAS Name: 4-(2-octoxyphenyl)-5-pyrimidinecarboxylic acid 3-methyloctyl ester IUPAC Name: 3-methyloctyl 4-(2-octoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 4-(2-octoxyphenyl)pyrimidine-5-carboxylic acid 3-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)OCCC(C)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=NC=NC=C2C(=O)OCCC(C)CCCCC

InChI

InChI=1S/C28H42N2O3/c1-4-6-8-9-10-14-19-32-26-17-13-12-16-24(26)27-25(21-29-22-30-27)28(31)33-20-18-23(3)15-11-7-5-2/h12-13,16-17,21-23H,4-11,14-15,18-20H2,1-3H3