5-(4-heptylcyclohexyl)-2-[4-(octan-2-yloxymethyl)phenyl]pyrimidine

Systemtic Name: 5-(4-heptylcyclohexyl)-2-[4-(octan-2-yloxymethyl)phenyl]pyrimidine Openeye Name: 5-(4-heptylcyclohexyl)-2-[4-(1-methylheptoxymethyl)phenyl]pyrimidine CAS Name: 5-(4-heptylcyclohexyl)-2-[4-(octan-2-yloxymethyl)phenyl]pyrimidine IUPAC Name: 5-(4-heptylcyclohexyl)-2-[4-(octan-2-yloxymethyl)phenyl]pyrimidine Traditional Name: 5-(4-heptylcyclohexyl)-2-[4-(1-methylheptoxymethyl)phenyl]pyrimidine Formula: C32H50N2O MolecularWeight: 478.7522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)COC(C)CCCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)COC(C)CCCCCC

InChI

InChI=1S/C32H50N2O/c1-4-6-8-10-12-14-27-15-19-29(20-16-27)31-23-33-32(34-24-31)30-21-17-28(18-22-30)25-35-26(3)13-11-9-7-5-2/h17-18,21-24,26-27,29H,4-16,19-20,25H2,1-3H3