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

Systemtic Name: 1-[4-[5-(4-butoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-butoxypropanoate Openeye Name: [2-[4-[5-(4-butoxyphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid 1-[4-[5-(4-butoxyphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-butoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [2-[4-[5-(4-butoxyphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C30H38N2O5 MolecularWeight: 506.63312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCC

InChI

InChI=1S/C30H38N2O5/c1-5-7-17-34-23(4)30(33)37-22(3)21-36-28-15-11-25(12-16-28)29-31-19-26(20-32-29)24-9-13-27(14-10-24)35-18-8-6-2/h9-16,19-20,22-23H,5-8,17-18,21H2,1-4H3