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

Systemtic Name: 1-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl pentanoate Openeye Name: [2-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[4-[5-(4-heptoxyphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [2-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C31H40N2O4/c1-4-6-8-9-10-20-35-28-16-12-25(13-17-28)27-21-32-31(33-22-27)26-14-18-29(19-15-26)36-23-24(3)37-30(34)11-7-5-2/h12-19,21-22,24H,4-11,20,23H2,1-3H3