2-[4-[(E)-6-(oxan-2-yl)hept-1-enyl]phenyl]-5-undecoxy-pyrimidine

Systemtic Name: 2-[4-[(E)-6-(oxan-2-yl)hept-1-enyl]phenyl]-5-undecoxy-pyrimidine Openeye Name: 2-[4-[(E)-6-tetrahydropyran-2-ylhept-1-enyl]phenyl]-5-undecoxy-pyrimidine CAS Name: 2-[4-[(E)-6-(2-oxanyl)hept-1-enyl]phenyl]-5-undecoxypyrimidine IUPAC Name: 2-[4-[(E)-6-(oxan-2-yl)hept-1-enyl]phenyl]-5-undecoxypyrimidine Traditional Name: 2-[4-[(E)-6-tetrahydropyran-2-ylhept-1-enyl]phenyl]-5-undecoxy-pyrimidine Formula: C33H50N2O2 MolecularWeight: 506.7623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C=CCCCC(C)C3CCCCO3

Isomeric SMILES

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/CCCC(C)C3CCCCO3

InChI

InChI=1S/C33H50N2O2/c1-3-4-5-6-7-8-9-10-15-24-36-31-26-34-33(35-27-31)30-22-20-29(21-23-30)18-13-11-12-17-28(2)32-19-14-16-25-37-32/h13,18,20-23,26-28,32H,3-12,14-17,19,24-25H2,1-2H3/b18-13+