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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)C(=O)OC(C)COC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCCC

Isomeric SMILES

CCCCOC(C)C(=O)OC(C)COC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCCC

InChI

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