5-octyl-2-[2-(4-propoxyphenyl)ethynyl]pyrimidine

Systemtic Name: 5-octyl-2-[2-(4-propoxyphenyl)ethynyl]pyrimidine Openeye Name: 5-octyl-2-[2-(4-propoxyphenyl)ethynyl]pyrimidine CAS Name: 5-octyl-2-[2-(4-propoxyphenyl)ethynyl]pyrimidine IUPAC Name: 5-octyl-2-[2-(4-propoxyphenyl)ethynyl]pyrimidine Traditional Name: 5-octyl-2-[2-(4-propoxyphenyl)ethynyl]pyrimidine Formula: C23H30N2O MolecularWeight: 350.4971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCC

InChI

InChI=1S/C23H30N2O/c1-3-5-6-7-8-9-10-21-18-24-23(25-19-21)16-13-20-11-14-22(15-12-20)26-17-4-2/h11-12,14-15,18-19H,3-10,17H2,1-2H3