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

Systemtic Name: 1-[4-[5-(4-pentylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-pentoxypropanoate Openeye Name: [1-methyl-2-[4-[5-(4-pentylphenyl)pyrimidin-2-yl]phenoxy]ethyl] 2-pentoxypropanoate CAS Name: 2-pentoxypropanoic acid 1-[4-[5-(4-pentylphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-pentylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-pentoxypropanoate Traditional Name: 2-amoxypropionic acid [2-[4-[5-(4-amylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C32H42N2O4 MolecularWeight: 518.68688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCC

InChI

InChI=1S/C32H42N2O4/c1-5-7-9-11-26-12-14-27(15-13-26)29-21-33-31(34-22-29)28-16-18-30(19-17-28)37-23-24(3)38-32(35)25(4)36-20-10-8-6-2/h12-19,21-22,24-25H,5-11,20,23H2,1-4H3