pentyl 2-[4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenoxy]propanoate

Systemtic Name: pentyl 2-[4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenoxy]propanoate Openeye Name: pentyl 2-[4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenoxy]propanoate CAS Name: 2-[4-[2-(4-pentylphenyl)-5-pyrimidinyl]phenoxy]propanoic acid pentyl ester IUPAC Name: pentyl 2-[4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenoxy]propanoate Traditional Name: 2-[4-[2-(4-amylphenyl)pyrimidin-5-yl]phenoxy]propionic acid amyl ester Formula: C29H36N2O3 MolecularWeight: 460.60774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(C)C(=O)OCCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(C)C(=O)OCCCCC

InChI

InChI=1S/C29H36N2O3/c1-4-6-8-10-23-11-13-25(14-12-23)28-30-20-26(21-31-28)24-15-17-27(18-16-24)34-22(3)29(32)33-19-9-7-5-2/h11-18,20-22H,4-10,19H2,1-3H3