hexyl 2-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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