1-[2-(4-heptoxyphenyl)pyrimidin-5-yl]oxypropan-2-yl 3-methoxypropanoate

Systemtic Name: 1-[2-(4-heptoxyphenyl)pyrimidin-5-yl]oxypropan-2-yl 3-methoxypropanoate Openeye Name: [2-[2-(4-heptoxyphenyl)pyrimidin-5-yl]oxy-1-methyl-ethyl] 3-methoxypropanoate CAS Name: 3-methoxypropanoic acid 1-[[2-(4-heptoxyphenyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-heptoxyphenyl)pyrimidin-5-yl]oxypropan-2-yl 3-methoxypropanoate Traditional Name: 3-methoxypropionic acid [2-[2-(4-heptoxyphenyl)pyrimidin-5-yl]oxy-1-methyl-ethyl] ester Formula: C24H34N2O5 MolecularWeight: 430.53716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)OC(=O)CCOC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)OC(=O)CCOC

InChI

InChI=1S/C24H34N2O5/c1-4-5-6-7-8-14-29-21-11-9-20(10-12-21)24-25-16-22(17-26-24)30-18-19(2)31-23(27)13-15-28-3/h9-12,16-17,19H,4-8,13-15,18H2,1-3H3