[2-[(E)-2-(5-bromanyl-3-ethoxy-2-propanoyloxy-phenyl)ethenyl]quinolin-8-yl] propanoate

Systemtic Name: [2-[(E)-2-(5-bromanyl-3-ethoxy-2-propanoyloxy-phenyl)ethenyl]quinolin-8-yl] propanoate Openeye Name: [2-[(E)-2-(5-bromo-3-ethoxy-2-propanoyloxy-phenyl)vinyl]-8-quinolyl] propanoate CAS Name: propanoic acid [2-[(E)-2-[5-bromo-3-ethoxy-2-(1-oxopropoxy)phenyl]ethenyl]-8-quinolinyl] ester IUPAC Name: [2-[(E)-2-(5-bromo-3-ethoxy-2-propanoyloxyphenyl)ethenyl]quinolin-8-yl] propanoate Traditional Name: propionic acid [2-[(E)-2-(5-bromo-3-ethoxy-2-propionyloxy-phenyl)vinyl]-8-quinolyl] ester Formula: C25H24BrNO5 MolecularWeight: 498.36576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=CC2=C1N=C(C=C2)C=CC3=CC(=CC(=C3OC(=O)CC)OCC)Br

Isomeric SMILES

CCC(=O)OC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC(=CC(=C3OC(=O)CC)OCC)Br

InChI

InChI=1S/C25H24BrNO5/c1-4-22(28)31-20-9-7-8-16-10-12-19(27-24(16)20)13-11-17-14-18(26)15-21(30-6-3)25(17)32-23(29)5-2/h7-15H,4-6H2,1-3H3/b13-11+