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

Systemtic Name: pentyl 2-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]propanoate Openeye Name: pentyl 2-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]propanoate CAS Name: 2-[4-[5-(4-hexylphenyl)-2-pyrimidinyl]phenoxy]propanoic acid pentyl ester IUPAC Name: pentyl 2-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]propanoate Traditional Name: 2-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]propionic acid amyl ester Formula: C30H38N2O3 MolecularWeight: 474.63432

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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)OCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O3/c1-4-6-8-9-11-24-12-14-25(15-13-24)27-21-31-29(32-22-27)26-16-18-28(19-17-26)35-23(3)30(33)34-20-10-7-5-2/h12-19,21-23H,4-11,20H2,1-3H3