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

Systemtic Name: butyl 2-[4-[5-(4-dodecylphenyl)pyrimidin-2-yl]phenoxy]propanoate Openeye Name: butyl 2-[4-[5-(4-dodecylphenyl)pyrimidin-2-yl]phenoxy]propanoate CAS Name: 2-[4-[5-(4-dodecylphenyl)-2-pyrimidinyl]phenoxy]propanoic acid butyl ester IUPAC Name: butyl 2-[4-[5-(4-dodecylphenyl)pyrimidin-2-yl]phenoxy]propanoate Traditional Name: 2-[4-[5-(4-laurylphenyl)pyrimidin-2-yl]phenoxy]propionic acid butyl ester Formula: C35H48N2O3 MolecularWeight: 544.76722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(C)C(=O)OCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(C)C(=O)OCCCC

InChI

InChI=1S/C35H48N2O3/c1-4-6-8-9-10-11-12-13-14-15-16-29-17-19-30(20-18-29)32-26-36-34(37-27-32)31-21-23-33(24-22-31)40-28(3)35(38)39-25-7-5-2/h17-24,26-28H,4-16,25H2,1-3H3