[2-[(E)-2-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)ethenyl]quinolin-8-yl] propanoate

Systemtic Name: [2-[(E)-2-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)ethenyl]quinolin-8-yl] propanoate Openeye Name: [2-[(E)-2-(3-bromo-5-ethoxy-4-methoxy-phenyl)vinyl]-8-quinolyl] propanoate CAS Name: propanoic acid [2-[(E)-2-(3-bromo-5-ethoxy-4-methoxyphenyl)ethenyl]-8-quinolinyl] ester IUPAC Name: [2-[(E)-2-(3-bromo-5-ethoxy-4-methoxyphenyl)ethenyl]quinolin-8-yl] propanoate Traditional Name: propionic acid [2-[(E)-2-(3-bromo-5-ethoxy-4-methoxy-phenyl)vinyl]-8-quinolyl] ester Formula: C23H22BrNO4 MolecularWeight: 456.32908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=CC2=C1N=C(C=C2)C=CC3=CC(=C(C(=C3)Br)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrNO4/c1-4-21(26)29-19-8-6-7-16-10-12-17(25-22(16)19)11-9-15-13-18(24)23(27-3)20(14-15)28-5-2/h6-14H,4-5H2,1-3H3/b11-9+