5-butyl-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]pyrimidine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCCOC2=CC=C(C=C2)C3=NC=C(C=N3)CCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCCOC2=CC=C(C=C2)C3=NC=C(C=N3)CCCC

InChI

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