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

Systemtic Name: 1-[5-(4-pentoxyphenyl)-2-phenyl-pyrimidin-4-yl]oxypropan-2-yl 2-butoxypropanoate Openeye Name: [1-methyl-2-[5-(4-pentoxyphenyl)-2-phenyl-pyrimidin-4-yl]oxy-ethyl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid 1-[[5-(4-pentoxyphenyl)-2-phenyl-4-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[5-(4-pentoxyphenyl)-2-phenylpyrimidin-4-yl]oxypropan-2-yl 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [2-[5-(4-amoxyphenyl)-2-phenyl-pyrimidin-4-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=CN=C(N=C2OCC(C)OC(=O)C(C)OCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2OCC(C)OC(=O)C(C)OCCCC)C3=CC=CC=C3

InChI

InChI=1S/C31H40N2O5/c1-5-7-12-20-36-27-17-15-25(16-18-27)28-21-32-29(26-13-10-9-11-14-26)33-30(28)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