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

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromanyl-4-heptyl-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromo-4-heptyl-benzoate CAS Name: 3-bromo-4-heptylbenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromo-4-heptylbenzoate Traditional Name: 3-bromo-4-heptyl-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C27H31BrN2O2 MolecularWeight: 495.45124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)Br

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)Br

InChI

InChI=1S/C27H31BrN2O2/c1-3-5-6-7-8-10-21-11-12-23(17-25(21)28)27(31)32-24-15-13-22(14-16-24)26-29-18-20(9-4-2)19-30-26/h11-19H,3-10H2,1-2H3