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

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromanyl-4-octan-2-yloxy-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromo-4-(1-methylheptoxy)benzoate CAS Name: 3-bromo-4-octan-2-yloxybenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-bromo-4-octan-2-yloxybenzoate Traditional Name: 3-bromo-4-(1-methylheptoxy)benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C28H33BrN2O3 MolecularWeight: 525.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)Br

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)Br

InChI

InChI=1S/C28H33BrN2O3/c1-4-6-7-8-10-20(3)33-26-16-13-23(17-25(26)29)28(32)34-24-14-11-22(12-15-24)27-30-18-21(9-5-2)19-31-27/h11-20H,4-10H2,1-3H3