[4-(5-phenylmethoxypyrimidin-2-yl)phenyl] nonanoate

Systemtic Name: [4-(5-phenylmethoxypyrimidin-2-yl)phenyl] nonanoate Openeye Name: [4-(5-benzyloxypyrimidin-2-yl)phenyl] nonanoate CAS Name: nonanoic acid [4-(5-phenylmethoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-phenylmethoxypyrimidin-2-yl)phenyl] nonanoate Traditional Name: pelargonic acid [4-(5-benzoxypyrimidin-2-yl)phenyl] ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H30N2O3/c1-2-3-4-5-6-10-13-25(29)31-23-16-14-22(15-17-23)26-27-18-24(19-28-26)30-20-21-11-8-7-9-12-21/h7-9,11-12,14-19H,2-6,10,13,20H2,1H3