[4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate

Systemtic Name: [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Openeye Name: [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [4-[5-(4-octoxyphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] ester Formula: C33H44N2O3 MolecularWeight: 516.71406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

InChI

InChI=1S/C33H44N2O3/c1-5-6-7-8-9-10-22-37-30-18-14-27(15-19-30)29-23-34-32(35-24-29)28-16-20-31(21-17-28)38-33(36)26(4)13-11-12-25(2)3/h14-21,23-26H,5-13,22H2,1-4H3