2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-methoxy-pyrimidine

Systemtic Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-methoxy-pyrimidine Openeye Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-methoxy-pyrimidine CAS Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-methoxypyrimidine IUPAC Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-methoxypyrimidine Traditional Name: 2-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-5-methoxy-pyrimidine Formula: C23H28N2O MolecularWeight: 348.48122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=NC=C(C=N3)OC

Isomeric SMILES

CCCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=NC=C(C=N3)OC

InChI

InChI=1S/C23H28N2O/c1-3-4-5-18-6-11-20(12-7-18)21-13-8-19(9-14-21)10-15-23-24-16-22(26-2)17-25-23/h8-9,13-14,16-18,20H,3-7,11-12H2,1-2H3