2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)pyrimidine

Systemtic Name: 2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)pyrimidine Openeye Name: 2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)pyrimidine CAS Name: 2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)pyrimidine IUPAC Name: 2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)pyrimidine Traditional Name: 5-(4-amylcyclohexyl)-2-(4-heptoxyphenyl)pyrimidine Formula: C28H42N2O MolecularWeight: 422.64588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3CCC(CC3)CCCCC

InChI

InChI=1S/C28H42N2O/c1-3-5-7-8-10-20-31-27-18-16-25(17-19-27)28-29-21-26(22-30-28)24-14-12-23(13-15-24)11-9-6-4-2/h16-19,21-24H,3-15,20H2,1-2H3