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

Systemtic Name: [2-[4-(4-octoxyphenyl)phenyl]pyrimidin-5-yl] 2-hexoxypropanoate Openeye Name: [2-[4-(4-octoxyphenyl)phenyl]pyrimidin-5-yl] 2-hexoxypropanoate CAS Name: 2-hexoxypropanoic acid [2-[4-(4-octoxyphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-octoxyphenyl)phenyl]pyrimidin-5-yl] 2-hexoxypropanoate Traditional Name: 2-hexoxypropionic acid [2-[4-(4-octoxyphenyl)phenyl]pyrimidin-5-yl] ester Formula: C33H44N2O4 MolecularWeight: 532.71346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCCCC

InChI

InChI=1S/C33H44N2O4/c1-4-6-8-10-11-13-23-38-30-20-18-28(19-21-30)27-14-16-29(17-15-27)32-34-24-31(25-35-32)39-33(36)26(3)37-22-12-9-7-5-2/h14-21,24-26H,4-13,22-23H2,1-3H3