[4-(5-propylpyridin-2-yl)phenyl] 4-bromanylbenzoate

Systemtic Name: [4-(5-propylpyridin-2-yl)phenyl] 4-bromanylbenzoate Openeye Name: [4-(5-propyl-2-pyridyl)phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-(5-propyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-propylpyridin-2-yl)phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-(5-propyl-2-pyridyl)phenyl] ester Formula: C21H18BrNO2 MolecularWeight: 396.27712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrNO2/c1-2-3-15-4-13-20(23-14-15)16-7-11-19(12-8-16)25-21(24)17-5-9-18(22)10-6-17/h4-14H,2-3H2,1H3