1-[4-(5-hexoxypyrimidin-2-yl)phenyl]propan-2-yl propanoate

Systemtic Name: 1-[4-(5-hexoxypyrimidin-2-yl)phenyl]propan-2-yl propanoate Openeye Name: [2-[4-(5-hexoxypyrimidin-2-yl)phenyl]-1-methyl-ethyl] propanoate CAS Name: propanoic acid 1-[4-(5-hexoxy-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-hexoxypyrimidin-2-yl)phenyl]propan-2-yl propanoate Traditional Name: propionic acid [2-[4-(5-hexoxypyrimidin-2-yl)phenyl]-1-methyl-ethyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CC

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CC(C)OC(=O)CC

InChI

InChI=1S/C22H30N2O3/c1-4-6-7-8-13-26-20-15-23-22(24-16-20)19-11-9-18(10-12-19)14-17(3)27-21(25)5-2/h9-12,15-17H,4-8,13-14H2,1-3H3