5-(4-cyclopentylbutoxy)-2-[4-(4-hexylphenyl)phenyl]pyrimidine

Systemtic Name: 5-(4-cyclopentylbutoxy)-2-[4-(4-hexylphenyl)phenyl]pyrimidine Openeye Name: 5-(4-cyclopentylbutoxy)-2-[4-(4-hexylphenyl)phenyl]pyrimidine CAS Name: 5-(4-cyclopentylbutoxy)-2-[4-(4-hexylphenyl)phenyl]pyrimidine IUPAC Name: 5-(4-cyclopentylbutoxy)-2-[4-(4-hexylphenyl)phenyl]pyrimidine Traditional Name: 5-(4-cyclopentylbutoxy)-2-[4-(4-hexylphenyl)phenyl]pyrimidine Formula: C31H40N2O MolecularWeight: 456.6621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCCC4CCCC4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCCC4CCCC4

InChI

InChI=1S/C31H40N2O/c1-2-3-4-5-10-26-14-16-27(17-15-26)28-18-20-29(21-19-28)31-32-23-30(24-33-31)34-22-9-8-13-25-11-6-7-12-25/h14-21,23-25H,2-13,22H2,1H3