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

Systemtic Name: 5-nonyl-2-[4-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]phenyl]pyrimidine Openeye Name: 5-nonyl-2-[4-[(E)-3-(4-pentylcyclohexyl)allyloxy]phenyl]pyrimidine CAS Name: 5-nonyl-2-[4-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]phenyl]pyrimidine IUPAC Name: 5-nonyl-2-[4-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]phenyl]pyrimidine Traditional Name: 2-[4-[(E)-3-(4-amylcyclohexyl)allyloxy]phenyl]-5-nonyl-pyrimidine Formula: C33H50N2O MolecularWeight: 490.7629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC=CC3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC/C=C/C3CCC(CC3)CCCCC

InChI

InChI=1S/C33H50N2O/c1-3-5-7-8-9-10-12-15-30-26-34-33(35-27-30)31-21-23-32(24-22-31)36-25-13-16-29-19-17-28(18-20-29)14-11-6-4-2/h13,16,21-24,26-29H,3-12,14-15,17-20,25H2,1-2H3/b16-13+