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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-bromanyl-4-nonyl-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-bromo-4-nonyl-benzoate CAS Name: 3-bromo-4-nonylbenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-bromo-4-nonylbenzoate Traditional Name: 3-bromo-4-nonyl-benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C34H45BrN2O2 MolecularWeight: 593.6373

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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)CCCCCCCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C34H45BrN2O2/c1-3-5-7-9-11-13-15-17-28-18-19-30(24-32(28)35)34(38)39-31-22-20-29(21-23-31)33-36-25-27(26-37-33)16-14-12-10-8-6-4-2/h18-26H,3-17H2,1-2H3