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

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromanyl-4-nonyl-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromo-4-nonyl-benzoate CAS Name: 3-bromo-4-nonylbenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromo-4-nonylbenzoate Traditional Name: 3-bromo-4-nonyl-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C29H35BrN2O2 MolecularWeight: 523.5044

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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)CCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C29H35BrN2O2/c1-3-5-6-7-8-9-10-12-23-13-14-25(19-27(23)30)29(33)34-26-17-15-24(16-18-26)28-31-20-22(11-4-2)21-32-28/h13-21H,3-12H2,1-2H3