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

Systemtic Name: [4-(5-butylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate Openeye Name: [4-(5-butylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate CAS Name: 3-pentoxypropanoic acid [4-(5-butyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-butylpyrimidin-2-yl)phenyl] 3-pentoxypropanoate Traditional Name: 3-amoxypropionic acid [4-(5-butylpyrimidin-2-yl)phenyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCC

Isomeric SMILES

CCCCCOCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCC

InChI

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