5-[2-(1-butoxyethoxymethoxy)propoxy]-2-[4-(4-pentylphenyl)phenyl]pyrimidine

Systemtic Name: 5-[2-(1-butoxyethoxymethoxy)propoxy]-2-[4-(4-pentylphenyl)phenyl]pyrimidine Openeye Name: 5-[2-(1-butoxyethoxymethoxy)propoxy]-2-[4-(4-pentylphenyl)phenyl]pyrimidine CAS Name: 5-[2-(1-butoxyethoxymethoxy)propoxy]-2-[4-(4-pentylphenyl)phenyl]pyrimidine IUPAC Name: 5-[2-(1-butoxyethoxymethoxy)propoxy]-2-[4-(4-pentylphenyl)phenyl]pyrimidine Traditional Name: 2-[4-(4-amylphenyl)phenyl]-5-[2-(1-butoxyethoxymethoxy)propoxy]pyrimidine Formula: C31H42N2O4 MolecularWeight: 506.67618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OCOC(C)OCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OCOC(C)OCCCC

InChI

InChI=1S/C31H42N2O4/c1-5-7-9-10-26-11-13-27(14-12-26)28-15-17-29(18-16-28)31-32-20-30(21-33-31)35-22-24(3)36-23-37-25(4)34-19-8-6-2/h11-18,20-21,24-25H,5-10,19,22-23H2,1-4H3