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

Systemtic Name: 1-[4-phenyl-2-(4-propoxyphenyl)pyrimidin-5-yl]oxypropan-2-yl 2-butoxypropanoate Openeye Name: [1-methyl-2-[4-phenyl-2-(4-propoxyphenyl)pyrimidin-5-yl]oxy-ethyl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid 1-[[4-phenyl-2-(4-propoxyphenyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[4-phenyl-2-(4-propoxyphenyl)pyrimidin-5-yl]oxypropan-2-yl 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [1-methyl-2-[4-phenyl-2-(4-propoxyphenyl)pyrimidin-5-yl]oxy-ethyl] ester Formula: C29H36N2O5 MolecularWeight: 492.60654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)C(=O)OC(C)COC1=CN=C(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)OCCC

Isomeric SMILES

CCCCOC(C)C(=O)OC(C)COC1=CN=C(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)OCCC

InChI

InChI=1S/C29H36N2O5/c1-5-7-18-33-22(4)29(32)36-21(3)20-35-26-19-30-28(31-27(26)23-11-9-8-10-12-23)24-13-15-25(16-14-24)34-17-6-2/h8-16,19,21-22H,5-7,17-18,20H2,1-4H3