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

Systemtic Name: 1-[4-[5-(4-butylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-butoxypropanoate Openeye Name: [2-[4-[5-(4-butylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid 1-[4-[5-(4-butylphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-butylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [2-[4-[5-(4-butylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C30H38N2O4 MolecularWeight: 490.63372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCC

InChI

InChI=1S/C30H38N2O4/c1-5-7-9-24-10-12-25(13-11-24)27-19-31-29(32-20-27)26-14-16-28(17-15-26)35-21-22(3)36-30(33)23(4)34-18-8-6-2/h10-17,19-20,22-23H,5-9,18,21H2,1-4H3