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

Systemtic Name: 3-methyloctyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Openeye Name: 3-methyloctyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-octoxyphenyl)-5-pyrimidinecarboxylic acid 3-methyloctyl ester IUPAC Name: 3-methyloctyl 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-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=C(C=C1)C2=NC=C(C=N2)C(=O)OCCC(C)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OCCC(C)CCCCC

InChI

InChI=1S/C28H42N2O3/c1-4-6-8-9-10-12-19-32-26-16-14-24(15-17-26)27-29-21-25(22-30-27)28(31)33-20-18-23(3)13-11-7-5-2/h14-17,21-23H,4-13,18-20H2,1-3H3