[4-(5-pentylpyrimidin-2-yl)phenyl] 3-propoxypropanoate

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-propoxypropanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-propoxypropanoate CAS Name: 3-propoxypropanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-propoxypropanoate Traditional Name: 3-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)CCOCCC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-3-5-6-7-17-15-22-21(23-16-17)18-8-10-19(11-9-18)26-20(24)12-14-25-13-4-2/h8-11,15-16H,3-7,12-14H2,1-2H3