5-heptyl-2-[4-(4-octan-2-yloxyphenyl)phenyl]pyrimidine

Systemtic Name: 5-heptyl-2-[4-(4-octan-2-yloxyphenyl)phenyl]pyrimidine Openeye Name: 5-heptyl-2-[4-[4-(1-methylheptoxy)phenyl]phenyl]pyrimidine CAS Name: 5-heptyl-2-[4-(4-octan-2-yloxyphenyl)phenyl]pyrimidine IUPAC Name: 5-heptyl-2-[4-(4-octan-2-yloxyphenyl)phenyl]pyrimidine Traditional Name: 5-heptyl-2-[4-[4-(1-methylheptoxy)phenyl]phenyl]pyrimidine Formula: C31H42N2O MolecularWeight: 458.67798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(C)CCCCCC

InChI

InChI=1S/C31H42N2O/c1-4-6-8-10-12-14-26-23-32-31(33-24-26)29-17-15-27(16-18-29)28-19-21-30(22-20-28)34-25(3)13-11-9-7-5-2/h15-25H,4-14H2,1-3H3