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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromanyl-4-nonyl-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromo-4-nonyl-benzoate CAS Name: 3-bromo-4-nonylbenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromo-4-nonylbenzoate Traditional Name: 3-bromo-4-nonyl-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C33H43BrN2O2 MolecularWeight: 579.61072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)Br

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)Br

InChI

InChI=1S/C33H43BrN2O2/c1-3-5-7-9-10-12-14-16-27-17-18-29(23-31(27)34)33(37)38-30-21-19-28(20-22-30)32-35-24-26(25-36-32)15-13-11-8-6-4-2/h17-25H,3-16H2,1-2H3