[4-(5-propylpyrimidin-2-yl)phenyl] 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromanyl-4-hexoxy-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C26H29BrN2O3 MolecularWeight: 497.42406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)Br

InChI

InChI=1S/C26H29BrN2O3/c1-3-5-6-7-15-31-24-14-11-21(16-23(24)27)26(30)32-22-12-9-20(10-13-22)25-28-17-19(8-4-2)18-29-25/h9-14,16-18H,3-8,15H2,1-2H3