[4-(5-pentoxypyrimidin-2-yl)phenyl] 4-methylhexanoate

Systemtic Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [4-(5-pentoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [4-(5-amoxypyrimidin-2-yl)phenyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCC(C)CC

InChI

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