1-[4-[5-(4-hexoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-pentoxypropanoate

Systemtic Name: 1-[4-[5-(4-hexoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-pentoxypropanoate Openeye Name: [2-[4-[5-(4-hexoxyphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] 2-pentoxypropanoate CAS Name: 2-pentoxypropanoic acid 1-[4-[5-(4-hexoxyphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-hexoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-pentoxypropanoate Traditional Name: 2-amoxypropionic acid [2-[4-[5-(4-hexoxyphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C33H44N2O5 MolecularWeight: 548.71286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCC

InChI

InChI=1S/C33H44N2O5/c1-5-7-9-11-21-38-30-16-12-27(13-17-30)29-22-34-32(35-23-29)28-14-18-31(19-15-28)39-24-25(3)40-33(36)26(4)37-20-10-8-6-2/h12-19,22-23,25-26H,5-11,20-21,24H2,1-4H3