[4-(5-decylpyrimidin-2-yl)phenyl] 3-bromanyl-4-nonyl-benzoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromanyl-4-nonyl-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromo-4-nonyl-benzoate CAS Name: 3-bromo-4-nonylbenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromo-4-nonylbenzoate Traditional Name: 3-bromo-4-nonyl-benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C36H49BrN2O2 MolecularWeight: 621.69046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCCCC)Br

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCCCC)Br

InChI

InChI=1S/C36H49BrN2O2/c1-3-5-7-9-11-13-14-16-18-29-27-38-35(39-28-29)31-22-24-33(25-23-31)41-36(40)32-21-20-30(34(37)26-32)19-17-15-12-10-8-6-4-2/h20-28H,3-19H2,1-2H3