butyl 2-[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenoxy]propanoate

Systemtic Name: butyl 2-[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenoxy]propanoate Openeye Name: butyl 2-[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenoxy]propanoate CAS Name: 2-[4-[2-(4-octylphenyl)-5-pyrimidinyl]phenoxy]propanoic acid butyl ester IUPAC Name: butyl 2-[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenoxy]propanoate Traditional Name: 2-[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenoxy]propionic acid butyl ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(C)C(=O)OCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(C)C(=O)OCCCC

InChI

InChI=1S/C31H40N2O3/c1-4-6-8-9-10-11-12-25-13-15-27(16-14-25)30-32-22-28(23-33-30)26-17-19-29(20-18-26)36-24(3)31(34)35-21-7-5-2/h13-20,22-24H,4-12,21H2,1-3H3