[2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 3-bromanylbenzoate Openeye Name: [2-ethoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-ethoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] ester Formula: C22H18BrNO3 MolecularWeight: 424.28722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=CC=NC=C2)OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=CC=NC=C2)OC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H18BrNO3/c1-2-26-21-14-17(7-6-16-10-12-24-13-11-16)8-9-20(21)27-22(25)18-4-3-5-19(23)15-18/h3-15H,2H2,1H3/b7-6+