[4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromanyl-4-heptoxy-benzoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromanyl-4-heptoxy-benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromo-4-heptoxy-benzoate CAS Name: 3-bromo-4-heptoxybenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromo-4-heptoxybenzoate Traditional Name: 3-bromo-4-heptoxy-benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C30H37BrN2O3 MolecularWeight: 553.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)Br

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)Br

InChI

InChI=1S/C30H37BrN2O3/c1-3-5-7-9-11-19-35-28-18-15-25(20-27(28)31)30(34)36-26-16-13-24(14-17-26)29-32-21-23(22-33-29)12-10-8-6-4-2/h13-18,20-22H,3-12,19H2,1-2H3