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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromanyl-4-nonoxy-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromo-4-nonoxy-benzoate CAS Name: 3-bromo-4-nonoxybenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromo-4-nonoxybenzoate Traditional Name: 3-bromo-4-nonoxy-benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C36H49BrN2O3 MolecularWeight: 637.68986

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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)OCCCCCCCCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C36H49BrN2O3/c1-3-5-7-9-11-12-14-16-18-29-27-38-35(39-28-29)30-19-22-32(23-20-30)42-36(40)31-21-24-34(33(37)26-31)41-25-17-15-13-10-8-6-4-2/h19-24,26-28H,3-18,25H2,1-2H3