phenyl 3-bromanyl-4-hexyl-2-(5-propylpyrimidin-2-yl)benzoate

Systemtic Name: phenyl 3-bromanyl-4-hexyl-2-(5-propylpyrimidin-2-yl)benzoate Openeye Name: phenyl 3-bromo-4-hexyl-2-(5-propylpyrimidin-2-yl)benzoate CAS Name: 3-bromo-4-hexyl-2-(5-propyl-2-pyrimidinyl)benzoic acid phenyl ester IUPAC Name: phenyl 3-bromo-4-hexyl-2-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 3-bromo-4-hexyl-2-(5-propylpyrimidin-2-yl)benzoic acid phenyl ester Formula: C26H29BrN2O2 MolecularWeight: 481.42466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=N3)CCC)Br

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=N3)CCC)Br

InChI

InChI=1S/C26H29BrN2O2/c1-3-5-6-8-12-20-15-16-22(26(30)31-21-13-9-7-10-14-21)23(24(20)27)25-28-17-19(11-4-2)18-29-25/h7,9-10,13-18H,3-6,8,11-12H2,1-2H3