[4-(5-pentylpyrimidin-2-yl)phenyl] 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-bromanyl-4-hexoxy-benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C28H33BrN2O3 MolecularWeight: 525.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)Br

InChI

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