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

Systemtic Name: [2-(5-octyl-4-pentanoyloxy-pyrimidin-2-yl)phenyl] benzoate Openeye Name: [2-(5-octyl-4-pentanoyloxy-pyrimidin-2-yl)phenyl] benzoate CAS Name: benzoic acid [2-[5-octyl-4-(1-oxopentoxy)-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-(5-octyl-4-pentanoyloxypyrimidin-2-yl)phenyl] benzoate Traditional Name: benzoic acid [2-(5-octyl-4-valeryloxy-pyrimidin-2-yl)phenyl] ester Formula: C30H36N2O4 MolecularWeight: 488.61784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1OC(=O)CCCC)C2=CC=CC=C2OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1OC(=O)CCCC)C2=CC=CC=C2OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H36N2O4/c1-3-5-7-8-9-11-18-24-22-31-28(32-29(24)36-27(33)21-6-4-2)25-19-14-15-20-26(25)35-30(34)23-16-12-10-13-17-23/h10,12-17,19-20,22H,3-9,11,18,21H2,1-2H3