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

Systemtic Name: 1-[4-[5-(4-propoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-[5-(4-propoxyphenyl)pyrimidin-2-yl]phenoxy]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-[5-(4-propoxyphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-propoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-[5-(4-propoxyphenyl)pyrimidin-2-yl]phenoxy]ethyl] ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)COC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCCC

Isomeric SMILES

CCCCC(=O)OC(C)COC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCCC

InChI

InChI=1S/C27H32N2O4/c1-4-6-7-26(30)33-20(3)19-32-25-14-10-22(11-15-25)27-28-17-23(18-29-27)21-8-12-24(13-9-21)31-16-5-2/h8-15,17-18,20H,4-7,16,19H2,1-3H3