[4-(5-butoxypyrimidin-2-yl)phenyl] 2-butoxypropanoate

Systemtic Name: [4-(5-butoxypyrimidin-2-yl)phenyl] 2-butoxypropanoate Openeye Name: [4-(5-butoxypyrimidin-2-yl)phenyl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid [4-(5-butoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-butoxypyrimidin-2-yl)phenyl] 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [4-(5-butoxypyrimidin-2-yl)phenyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)OCCCC

Isomeric SMILES

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)OCCCC

InChI

InChI=1S/C21H28N2O4/c1-4-6-12-25-16(3)21(24)27-18-10-8-17(9-11-18)20-22-14-19(15-23-20)26-13-7-5-2/h8-11,14-16H,4-7,12-13H2,1-3H3