1-[5-(4-nonylphenyl)-2-phenyl-pyrimidin-4-yl]oxypropan-2-yl 2-butoxypropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2OCC(C)OC(=O)C(C)OCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2OCC(C)OC(=O)C(C)OCCCC)C3=CC=CC=C3

InChI

InChI=1S/C35H48N2O4/c1-5-7-9-10-11-12-14-17-29-20-22-30(23-21-29)32-25-36-33(31-18-15-13-16-19-31)37-34(32)40-26-27(3)41-35(38)28(4)39-24-8-6-2/h13,15-16,18-23,25,27-28H,5-12,14,17,24,26H2,1-4H3