[4-(5-heptoxypyrimidin-2-yl)phenyl] pentanoate

Systemtic Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] pentanoate Openeye Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] pentanoate CAS Name: pentanoic acid [4-(5-heptoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] pentanoate Traditional Name: valeric acid [4-(5-heptoxypyrimidin-2-yl)phenyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCC

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCC

InChI

InChI=1S/C22H30N2O3/c1-3-5-7-8-9-15-26-20-16-23-22(24-17-20)18-11-13-19(14-12-18)27-21(25)10-6-4-2/h11-14,16-17H,3-10,15H2,1-2H3