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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrNO3/c1-2-26-21-15-17(4-3-16-11-13-24-14-12-16)5-10-20(21)27-22(25)18-6-8-19(23)9-7-18/h3-15H,2H2,1H3/b4-3+