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

Systemtic Name: 1-[4-[5-(4-decylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-pentoxypropanoate Openeye Name: [2-[4-[5-(4-decylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] 2-pentoxypropanoate CAS Name: 2-pentoxypropanoic acid 1-[4-[5-(4-decylphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-decylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-pentoxypropanoate Traditional Name: 2-amoxypropionic acid [2-[4-[5-(4-decylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C37H52N2O4 MolecularWeight: 588.81978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCC

InChI

InChI=1S/C37H52N2O4/c1-5-7-9-10-11-12-13-14-16-31-17-19-32(20-18-31)34-26-38-36(39-27-34)33-21-23-35(24-22-33)42-28-29(3)43-37(40)30(4)41-25-15-8-6-2/h17-24,26-27,29-30H,5-16,25,28H2,1-4H3