[(6S)-6-methyloctyl] 2-(4-octoxyphenyl)pyrimidine-5-carboxylate

Systemtic Name: [(6S)-6-methyloctyl] 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Openeye Name: [(6S)-6-methyloctyl] 2-(4-octoxyphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-octoxyphenyl)-5-pyrimidinecarboxylic acid [(6S)-6-methyloctyl] ester IUPAC Name: [(6S)-6-methyloctyl] 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-octoxyphenyl)pyrimidine-5-carboxylic acid [(6S)-6-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)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OCCCCC[C@@H](C)CC

InChI

InChI=1S/C28H42N2O3/c1-4-6-7-8-9-12-19-32-26-17-15-24(16-18-26)27-29-21-25(22-30-27)28(31)33-20-13-10-11-14-23(3)5-2/h15-18,21-23H,4-14,19-20H2,1-3H3/t23-/m0/s1