[4-(5-pentylpyrimidin-2-yl)phenyl] 2-propoxypropanoate

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-propoxypropanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-propoxypropanoate CAS Name: 2-propoxypropanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-propoxypropanoate Traditional Name: 2-propoxypropionic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)OCCC

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)OCCC

InChI

InChI=1S/C21H28N2O3/c1-4-6-7-8-17-14-22-20(23-15-17)18-9-11-19(12-10-18)26-21(24)16(3)25-13-5-2/h9-12,14-16H,4-8,13H2,1-3H3