pyrimidin-2-yl 3-fluoranyl-4-heptoxy-5-(4-octylphenyl)benzoate

Systemtic Name: pyrimidin-2-yl 3-fluoranyl-4-heptoxy-5-(4-octylphenyl)benzoate Openeye Name: pyrimidin-2-yl 3-fluoro-4-heptoxy-5-(4-octylphenyl)benzoate CAS Name: 3-fluoro-4-heptoxy-5-(4-octylphenyl)benzoic acid 2-pyrimidinyl ester IUPAC Name: pyrimidin-2-yl 3-fluoro-4-heptoxy-5-(4-octylphenyl)benzoate Traditional Name: 3-fluoro-4-heptoxy-5-(4-octylphenyl)benzoic acid 2-pyrimidyl ester Formula: C32H41FN2O3 MolecularWeight: 520.677943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC(=CC(=C2OCCCCCCC)F)C(=O)OC3=NC=CC=N3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC(=CC(=C2OCCCCCCC)F)C(=O)OC3=NC=CC=N3

InChI

InChI=1S/C32H41FN2O3/c1-3-5-7-9-10-12-15-25-16-18-26(19-17-25)28-23-27(31(36)38-32-34-20-14-21-35-32)24-29(33)30(28)37-22-13-11-8-6-4-2/h14,16-21,23-24H,3-13,15,22H2,1-2H3