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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromanyl-4-heptyl-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromo-4-heptyl-benzoate CAS Name: 3-bromo-4-heptylbenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromo-4-heptylbenzoate Traditional Name: 3-bromo-4-heptyl-benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C34H45BrN2O2 MolecularWeight: 593.6373

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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)CCCCCCC)Br

Isomeric SMILES

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

InChI

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