1-[4-[2-(4-decylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-pentoxypropanoate

Systemtic Name: 1-[4-[2-(4-decylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-pentoxypropanoate Openeye Name: [2-[4-[2-(4-decylphenyl)pyrimidin-5-yl]phenoxy]-1-methyl-ethyl] 2-pentoxypropanoate CAS Name: 2-pentoxypropanoic acid 1-[4-[2-(4-decylphenyl)-5-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-decylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-pentoxypropanoate Traditional Name: 2-amoxypropionic acid [2-[4-[2-(4-decylphenyl)pyrimidin-5-yl]phenoxy]-1-methyl-ethyl] ester Formula: C37H52N2O4 MolecularWeight: 588.81978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCC

InChI

InChI=1S/C37H52N2O4/c1-5-7-9-10-11-12-13-14-16-31-17-19-33(20-18-31)36-38-26-34(27-39-36)32-21-23-35(24-22-32)42-28-29(3)43-37(40)30(4)41-25-15-8-6-2/h17-24,26-27,29-30H,5-16,25,28H2,1-4H3