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

Systemtic Name: 1-[4-[2-(4-butylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-propoxypropanoate Openeye Name: [2-[4-[2-(4-butylphenyl)pyrimidin-5-yl]phenoxy]-1-methyl-ethyl] 2-propoxypropanoate CAS Name: 2-propoxypropanoic acid 1-[4-[2-(4-butylphenyl)-5-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-butylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 2-propoxypropanoate Traditional Name: 2-propoxypropionic acid [2-[4-[2-(4-butylphenyl)pyrimidin-5-yl]phenoxy]-1-methyl-ethyl] ester Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCC

InChI

InChI=1S/C29H36N2O4/c1-5-7-8-23-9-11-25(12-10-23)28-30-18-26(19-31-28)24-13-15-27(16-14-24)34-20-21(3)35-29(32)22(4)33-17-6-2/h9-16,18-19,21-22H,5-8,17,20H2,1-4H3