2-[2-(4-butylcyclohexyl)ethyl]-5-(4-heptoxyphenyl)pyrimidine

Systemtic Name: 2-[2-(4-butylcyclohexyl)ethyl]-5-(4-heptoxyphenyl)pyrimidine Openeye Name: 2-[2-(4-butylcyclohexyl)ethyl]-5-(4-heptoxyphenyl)pyrimidine CAS Name: 2-[2-(4-butylcyclohexyl)ethyl]-5-(4-heptoxyphenyl)pyrimidine IUPAC Name: 2-[2-(4-butylcyclohexyl)ethyl]-5-(4-heptoxyphenyl)pyrimidine Traditional Name: 2-[2-(4-butylcyclohexyl)ethyl]-5-(4-heptoxyphenyl)pyrimidine Formula: C29H44N2O MolecularWeight: 436.67246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)CCC3CCC(CC3)CCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)CCC3CCC(CC3)CCCC

InChI

InChI=1S/C29H44N2O/c1-3-5-7-8-9-21-32-28-18-16-26(17-19-28)27-22-30-29(31-23-27)20-15-25-13-11-24(12-14-25)10-6-4-2/h16-19,22-25H,3-15,20-21H2,1-2H3