5-heptyl-2-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]pyrimidine

Systemtic Name: 5-heptyl-2-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]pyrimidine Openeye Name: 5-heptyl-2-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]pyrimidine CAS Name: 5-heptyl-2-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]pyrimidine IUPAC Name: 5-heptyl-2-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]pyrimidine Traditional Name: 5-heptyl-2-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]pyrimidine Formula: C27H38N2O MolecularWeight: 406.60342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3CCC(CC3)C=CCOC

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O/c1-3-4-5-6-7-9-23-20-28-27(29-21-23)26-17-15-25(16-18-26)24-13-11-22(12-14-24)10-8-19-30-2/h8,10,15-18,20-22,24H,3-7,9,11-14,19H2,1-2H3/b10-8+