[2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 2-hexoxypropanoate

Systemtic Name: [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 2-hexoxypropanoate Openeye Name: [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 2-hexoxypropanoate CAS Name: 2-hexoxypropanoic acid [2-[4-(4-octylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 2-hexoxypropanoate Traditional Name: 2-hexoxypropionic acid [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCCCC

InChI

InChI=1S/C33H44N2O3/c1-4-6-8-10-11-12-14-27-15-17-28(18-16-27)29-19-21-30(22-20-29)32-34-24-31(25-35-32)38-33(36)26(3)37-23-13-9-7-5-2/h15-22,24-26H,4-14,23H2,1-3H3