[2-(5-octoxy-4-pentanoyloxy-pyrimidin-2-yl)phenyl] benzoate

Systemtic Name: [2-(5-octoxy-4-pentanoyloxy-pyrimidin-2-yl)phenyl] benzoate Openeye Name: [2-(5-octoxy-4-pentanoyloxy-pyrimidin-2-yl)phenyl] benzoate CAS Name: benzoic acid [2-[5-octoxy-4-(1-oxopentoxy)-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-(5-octoxy-4-pentanoyloxypyrimidin-2-yl)phenyl] benzoate Traditional Name: benzoic acid [2-(5-octoxy-4-valeryloxy-pyrimidin-2-yl)phenyl] ester Formula: C30H36N2O5 MolecularWeight: 504.61724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1OC(=O)CCCC)C2=CC=CC=C2OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1OC(=O)CCCC)C2=CC=CC=C2OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H36N2O5/c1-3-5-7-8-9-15-21-35-26-22-31-28(32-29(26)37-27(33)20-6-4-2)24-18-13-14-19-25(24)36-30(34)23-16-11-10-12-17-23/h10-14,16-19,22H,3-9,15,20-21H2,1-2H3