[4-(5-butylpyrimidin-2-yl)phenyl] 3-butoxypropanoate

Systemtic Name: [4-(5-butylpyrimidin-2-yl)phenyl] 3-butoxypropanoate Openeye Name: [4-(5-butylpyrimidin-2-yl)phenyl] 3-butoxypropanoate CAS Name: 3-butoxypropanoic acid [4-(5-butyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-butylpyrimidin-2-yl)phenyl] 3-butoxypropanoate Traditional Name: 3-butoxypropionic acid [4-(5-butylpyrimidin-2-yl)phenyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCC

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCC

InChI

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