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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromanyl-4-nonoxy-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromo-4-nonoxy-benzoate CAS Name: 3-bromo-4-nonoxybenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromo-4-nonoxybenzoate Traditional Name: 3-bromo-4-nonoxy-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C33H43BrN2O3 MolecularWeight: 595.61012

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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)CCCCCCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C33H43BrN2O3/c1-3-5-7-9-10-12-14-22-38-31-21-18-28(23-30(31)34)33(37)39-29-19-16-27(17-20-29)32-35-24-26(25-36-32)15-13-11-8-6-4-2/h16-21,23-25H,3-15,22H2,1-2H3