2-[4-[3-(4-butylcyclohexyl)propoxy]phenyl]-5-heptyl-pyrimidine

Systemtic Name: 2-[4-[3-(4-butylcyclohexyl)propoxy]phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[4-[3-(4-butylcyclohexyl)propoxy]phenyl]-5-heptyl-pyrimidine CAS Name: 2-[4-[3-(4-butylcyclohexyl)propoxy]phenyl]-5-heptylpyrimidine IUPAC Name: 2-[4-[3-(4-butylcyclohexyl)propoxy]phenyl]-5-heptylpyrimidine Traditional Name: 2-[4-[3-(4-butylcyclohexyl)propoxy]phenyl]-5-heptyl-pyrimidine Formula: C30H46N2O MolecularWeight: 450.69904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCC3CCC(CC3)CCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCC3CCC(CC3)CCCC

InChI

InChI=1S/C30H46N2O/c1-3-5-7-8-9-12-27-23-31-30(32-24-27)28-18-20-29(21-19-28)33-22-10-13-26-16-14-25(15-17-26)11-6-4-2/h18-21,23-26H,3-17,22H2,1-2H3