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

Systemtic Name: 5-[(6S)-6-methyloctyl]-2-(4-octoxyphenyl)pyrimidine Openeye Name: 5-[(6S)-6-methyloctyl]-2-(4-octoxyphenyl)pyrimidine CAS Name: 5-[(6S)-6-methyloctyl]-2-(4-octoxyphenyl)pyrimidine IUPAC Name: 5-[(6S)-6-methyloctyl]-2-(4-octoxyphenyl)pyrimidine Traditional Name: 5-[(6S)-6-methyloctyl]-2-(4-octoxyphenyl)pyrimidine Formula: C27H42N2O MolecularWeight: 410.63518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N2O/c1-4-6-7-8-9-13-20-30-26-18-16-25(17-19-26)27-28-21-24(22-29-27)15-12-10-11-14-23(3)5-2/h16-19,21-23H,4-15,20H2,1-3H3/t23-/m0/s1