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

Systemtic Name: 5-heptyl-2-[4-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]phenyl]pyrimidine Openeye Name: 5-heptyl-2-[4-[(E)-3-(4-pentylcyclohexyl)allyloxy]phenyl]pyrimidine CAS Name: 5-heptyl-2-[4-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]phenyl]pyrimidine IUPAC Name: 5-heptyl-2-[4-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]phenyl]pyrimidine Traditional Name: 2-[4-[(E)-3-(4-amylcyclohexyl)allyloxy]phenyl]-5-heptyl-pyrimidine Formula: C31H46N2O MolecularWeight: 462.70974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC=CC3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC/C=C/C3CCC(CC3)CCCCC

InChI

InChI=1S/C31H46N2O/c1-3-5-7-8-10-13-28-24-32-31(33-25-28)29-19-21-30(22-20-29)34-23-11-14-27-17-15-26(16-18-27)12-9-6-4-2/h11,14,19-22,24-27H,3-10,12-13,15-18,23H2,1-2H3/b14-11+