2-[2-(4-heptylcyclohexyl)ethyl]-5-(4-propoxyphenyl)pyrimidine

Systemtic Name: 2-[2-(4-heptylcyclohexyl)ethyl]-5-(4-propoxyphenyl)pyrimidine Openeye Name: 2-[2-(4-heptylcyclohexyl)ethyl]-5-(4-propoxyphenyl)pyrimidine CAS Name: 2-[2-(4-heptylcyclohexyl)ethyl]-5-(4-propoxyphenyl)pyrimidine IUPAC Name: 2-[2-(4-heptylcyclohexyl)ethyl]-5-(4-propoxyphenyl)pyrimidine Traditional Name: 2-[2-(4-heptylcyclohexyl)ethyl]-5-(4-propoxyphenyl)pyrimidine Formula: C28H42N2O MolecularWeight: 422.64588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCC2=NC=C(C=N2)C3=CC=C(C=C3)OCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCC2=NC=C(C=N2)C3=CC=C(C=C3)OCCC

InChI

InChI=1S/C28H42N2O/c1-3-5-6-7-8-9-23-10-12-24(13-11-23)14-19-28-29-21-26(22-30-28)25-15-17-27(18-16-25)31-20-4-2/h15-18,21-24H,3-14,19-20H2,1-2H3