2-[4-(2-methylbutoxy)-3-(phenoxymethyl)phenyl]-5-nonyl-pyrimidine

Systemtic Name: 2-[4-(2-methylbutoxy)-3-(phenoxymethyl)phenyl]-5-nonyl-pyrimidine Openeye Name: 2-[4-(2-methylbutoxy)-3-(phenoxymethyl)phenyl]-5-nonyl-pyrimidine CAS Name: 2-[4-(2-methylbutoxy)-3-(phenoxymethyl)phenyl]-5-nonylpyrimidine IUPAC Name: 2-[4-(2-methylbutoxy)-3-(phenoxymethyl)phenyl]-5-nonylpyrimidine Traditional Name: 2-[4-(2-methylbutoxy)-3-(phenoxymethyl)phenyl]-5-nonyl-pyrimidine Formula: C31H42N2O2 MolecularWeight: 474.67738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCC(C)CC)COC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCC(C)CC)COC3=CC=CC=C3

InChI

InChI=1S/C31H42N2O2/c1-4-6-7-8-9-10-12-15-26-21-32-31(33-22-26)27-18-19-30(35-23-25(3)5-2)28(20-27)24-34-29-16-13-11-14-17-29/h11,13-14,16-22,25H,4-10,12,15,23-24H2,1-3H3