[2-[(E)-2-(5-bromanyl-2-ethoxy-phenyl)ethenyl]quinolin-8-yl] ethanoate

Systemtic Name: [2-[(E)-2-(5-bromanyl-2-ethoxy-phenyl)ethenyl]quinolin-8-yl] ethanoate Openeye Name: [2-[(E)-2-(5-bromo-2-ethoxy-phenyl)vinyl]-8-quinolyl] acetate CAS Name: acetic acid [2-[(E)-2-(5-bromo-2-ethoxyphenyl)ethenyl]-8-quinolinyl] ester IUPAC Name: [2-[(E)-2-(5-bromo-2-ethoxyphenyl)ethenyl]quinolin-8-yl] acetate Traditional Name: acetic acid [2-[(E)-2-(5-bromo-2-ethoxy-phenyl)vinyl]-8-quinolyl] ester Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC2=NC3=C(C=CC=C3OC(=O)C)C=C2

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C/C2=NC3=C(C=CC=C3OC(=O)C)C=C2

InChI

InChI=1S/C21H18BrNO3/c1-3-25-19-12-9-17(22)13-16(19)8-11-18-10-7-15-5-4-6-20(21(15)23-18)26-14(2)24/h4-13H,3H2,1-2H3/b11-8+