1-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-propoxypropanoate

Systemtic Name: 1-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-propoxypropanoate Openeye Name: [2-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] 2-propoxypropanoate CAS Name: 2-propoxypropanoic acid 1-[4-[5-(4-hexylphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-propoxypropanoate Traditional Name: 2-propoxypropionic acid [2-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C31H40N2O4 MolecularWeight: 504.6603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCC

InChI

InChI=1S/C31H40N2O4/c1-5-7-8-9-10-25-11-13-26(14-12-25)28-20-32-30(33-21-28)27-15-17-29(18-16-27)36-22-23(3)37-31(34)24(4)35-19-6-2/h11-18,20-21,23-24H,5-10,19,22H2,1-4H3