1-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-butoxypropanoate

Systemtic Name: 1-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-butoxypropanoate Openeye Name: [1-methyl-2-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]ethyl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid 1-[4-[2-(4-nonylphenyl)-5-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [1-methyl-2-[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenoxy]ethyl] ester Formula: C35H48N2O4 MolecularWeight: 560.76662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCC

InChI

InChI=1S/C35H48N2O4/c1-5-7-9-10-11-12-13-14-29-15-17-31(18-16-29)34-36-24-32(25-37-34)30-19-21-33(22-20-30)40-26-27(3)41-35(38)28(4)39-23-8-6-2/h15-22,24-25,27-28H,5-14,23,26H2,1-4H3