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

Systemtic Name: 1-[4-[2-(4-tridecoxyphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-[2-(4-tridecoxyphenyl)pyrimidin-4-yl]phenoxy]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-[2-(4-tridecoxyphenyl)-4-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-tridecoxyphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-[2-(4-tridecoxyphenyl)pyrimidin-4-yl]phenoxy]ethyl] ester Formula: C37H52N2O4 MolecularWeight: 588.81978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C37H52N2O4/c1-4-6-8-9-10-11-12-13-14-15-16-28-41-33-24-20-32(21-25-33)37-38-27-26-35(39-37)31-18-22-34(23-19-31)42-29-30(3)43-36(40)17-7-5-2/h18-27,30H,4-17,28-29H2,1-3H3