[3-bromanyl-4-[4-(5-propylpyridin-2-yl)phenyl]carbonyloxy-phenyl] 4-(5-propylpyridin-2-yl)benzoate

Systemtic Name: [3-bromanyl-4-[4-(5-propylpyridin-2-yl)phenyl]carbonyloxy-phenyl] 4-(5-propylpyridin-2-yl)benzoate Openeye Name: [3-bromo-4-[4-(5-propyl-2-pyridyl)benzoyl]oxy-phenyl] 4-(5-propyl-2-pyridyl)benzoate CAS Name: 4-(5-propyl-2-pyridinyl)benzoic acid [3-bromo-4-[oxo-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]phenyl] ester IUPAC Name: [3-bromo-4-[4-(5-propylpyridin-2-yl)benzoyl]oxyphenyl] 4-(5-propylpyridin-2-yl)benzoate Traditional Name: 4-(5-propyl-2-pyridyl)benzoic acid [3-bromo-4-[4-(5-propyl-2-pyridyl)benzoyl]oxy-phenyl] ester Formula: C36H31BrN2O4 MolecularWeight: 635.54634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)C5=NC=C(C=C5)CCC)Br

Isomeric SMILES

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)C5=NC=C(C=C5)CCC)Br

InChI

InChI=1S/C36H31BrN2O4/c1-3-5-24-7-18-32(38-22-24)26-9-13-28(14-10-26)35(40)42-30-17-20-34(31(37)21-30)43-36(41)29-15-11-27(12-16-29)33-19-8-25(6-4-2)23-39-33/h7-23H,3-6H2,1-2H3