5-octyl-2-[4-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]phenyl]pyrimidine

Systemtic Name: 5-octyl-2-[4-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]phenyl]pyrimidine Openeye Name: 5-octyl-2-[4-[(E)-3-(4-pentylcyclohexyl)allyloxy]phenyl]pyrimidine CAS Name: 5-octyl-2-[4-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]phenyl]pyrimidine IUPAC Name: 5-octyl-2-[4-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]phenyl]pyrimidine Traditional Name: 2-[4-[(E)-3-(4-amylcyclohexyl)allyloxy]phenyl]-5-octyl-pyrimidine Formula: C32H48N2O MolecularWeight: 476.73632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC=CC3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC/C=C/C3CCC(CC3)CCCCC

InChI

InChI=1S/C32H48N2O/c1-3-5-7-8-9-11-14-29-25-33-32(34-26-29)30-20-22-31(23-21-30)35-24-12-15-28-18-16-27(17-19-28)13-10-6-4-2/h12,15,20-23,25-28H,3-11,13-14,16-19,24H2,1-2H3/b15-12+