[4-(5-octylpyrimidin-2-yl)phenyl] 3-bromanyl-4-heptoxy-benzoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-bromanyl-4-heptoxy-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-bromo-4-heptoxy-benzoate CAS Name: 3-bromo-4-heptoxybenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-bromo-4-heptoxybenzoate Traditional Name: 3-bromo-4-heptoxy-benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C32H41BrN2O3 MolecularWeight: 581.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCC)Br

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCC)Br

InChI

InChI=1S/C32H41BrN2O3/c1-3-5-7-9-10-12-14-25-23-34-31(35-24-25)26-15-18-28(19-16-26)38-32(36)27-17-20-30(29(33)22-27)37-21-13-11-8-6-4-2/h15-20,22-24H,3-14,21H2,1-2H3