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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-butoxypropanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-butoxypropanoate CAS Name: 3-butoxypropanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-butoxypropanoate Traditional Name: 3-butoxypropionic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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