3-[(E)-non-5-enyl]-2-[4-[6-(oxan-2-yloxy)heptyl]phenyl]-4H-pyrimidine

Systemtic Name: 3-[(E)-non-5-enyl]-2-[4-[6-(oxan-2-yloxy)heptyl]phenyl]-4H-pyrimidine Openeye Name: 3-[(E)-non-5-enyl]-2-[4-(6-tetrahydropyran-2-yloxyheptyl)phenyl]-4H-pyrimidine CAS Name: 3-[(E)-non-5-enyl]-2-[4-[6-(2-oxanyloxy)heptyl]phenyl]-4H-pyrimidine IUPAC Name: 3-[(E)-non-5-enyl]-2-[4-[6-(oxan-2-yloxy)heptyl]phenyl]-4H-pyrimidine Traditional Name: 3-[(E)-non-5-enyl]-2-[4-(6-tetrahydropyran-2-yloxyheptyl)phenyl]-4H-pyrimidine Formula: C31H48N2O2 MolecularWeight: 480.72502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCCCCN1CC=CN=C1C2=CC=C(C=C2)CCCCCC(C)OC3CCCCO3

Isomeric SMILES

CCC/C=C/CCCCN1CC=CN=C1C2=CC=C(C=C2)CCCCCC(C)OC3CCCCO3

InChI

InChI=1S/C31H48N2O2/c1-3-4-5-6-7-8-13-24-33-25-15-23-32-31(33)29-21-19-28(20-22-29)17-11-9-10-16-27(2)35-30-18-12-14-26-34-30/h5-6,15,19-23,27,30H,3-4,7-14,16-18,24-26H2,1-2H3/b6-5+