1-[4-[2-(4-tridecoxyphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl pentanoate

Systemtic Name: 1-[4-[2-(4-tridecoxyphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-[2-(4-tridecoxyphenyl)pyrimidin-5-yl]phenoxy]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-[2-(4-tridecoxyphenyl)-5-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-tridecoxyphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-[2-(4-tridecoxyphenyl)pyrimidin-5-yl]phenoxy]ethyl] ester Formula: C37H52N2O4 MolecularWeight: 588.81978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C37H52N2O4/c1-4-6-8-9-10-11-12-13-14-15-16-26-41-34-24-20-32(21-25-34)37-38-27-33(28-39-37)31-18-22-35(23-19-31)42-29-30(3)43-36(40)17-7-5-2/h18-25,27-28,30H,4-17,26,29H2,1-3H3