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

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromanyl-4-nonoxy-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromo-4-nonoxy-benzoate CAS Name: 3-bromo-4-nonoxybenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromo-4-nonoxybenzoate Traditional Name: 3-bromo-4-nonoxy-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C29H35BrN2O3 MolecularWeight: 539.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)Br

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)Br

InChI

InChI=1S/C29H35BrN2O3/c1-3-5-6-7-8-9-10-18-34-27-17-14-24(19-26(27)30)29(33)35-25-15-12-23(13-16-25)28-31-20-22(11-4-2)21-32-28/h12-17,19-21H,3-11,18H2,1-2H3