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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CN=CN=C2C3=CC=CC=C3COC(C)CCCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CN=CN=C2C3=CC=CC=C3COC(C)CCCCCC

InChI

InChI=1S/C32H50N2O/c1-4-6-8-10-12-16-27-19-21-28(22-20-27)31-23-33-25-34-32(31)30-18-14-13-17-29(30)24-35-26(3)15-11-9-7-5-2/h13-14,17-18,23,25-28H,4-12,15-16,19-22,24H2,1-3H3