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

Systemtic Name: 1-[2-(4-pentoxyphenyl)-4-phenyl-pyrimidin-5-yl]oxypropan-2-yl 2-butoxypropanoate Openeye Name: [1-methyl-2-[2-(4-pentoxyphenyl)-4-phenyl-pyrimidin-5-yl]oxy-ethyl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid 1-[[2-(4-pentoxyphenyl)-4-phenyl-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-pentoxyphenyl)-4-phenylpyrimidin-5-yl]oxypropan-2-yl 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [2-[2-(4-amoxyphenyl)-4-phenyl-pyrimidin-5-yl]oxy-1-methyl-ethyl] ester Formula: C31H40N2O5 MolecularWeight: 520.6597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=CC=C3)OCC(C)OC(=O)C(C)OCCCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=CC=C3)OCC(C)OC(=O)C(C)OCCCC

InChI

InChI=1S/C31H40N2O5/c1-5-7-12-20-36-27-17-15-26(16-18-27)30-32-21-28(29(33-30)25-13-10-9-11-14-25)37-22-23(3)38-31(34)24(4)35-19-8-6-2/h9-11,13-18,21,23-24H,5-8,12,19-20,22H2,1-4H3