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

Systemtic Name: pentyl 2-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propanoate Openeye Name: pentyl 2-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propanoate CAS Name: 2-[4-[5-(4-octylphenyl)-2-pyrimidinyl]phenoxy]propanoic acid pentyl ester IUPAC Name: pentyl 2-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propanoate Traditional Name: 2-[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenoxy]propionic acid amyl ester Formula: C32H42N2O3 MolecularWeight: 502.68748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(C)C(=O)OCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(C)C(=O)OCCCCC

InChI

InChI=1S/C32H42N2O3/c1-4-6-8-9-10-11-13-26-14-16-27(17-15-26)29-23-33-31(34-24-29)28-18-20-30(21-19-28)37-25(3)32(35)36-22-12-7-5-2/h14-21,23-25H,4-13,22H2,1-3H3