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2-[(E)-2-(4-butoxy-3-ethoxy-phenyl)ethenyl]quinoline-4-carboxylic acid
2-[(E)-2-(4-butoxy-3-ethoxy-phenyl)ethenyl]quinoline-4-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCOC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O)OCC
Isomeric SMILES
CCCCOC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O)OCC
InChI
InChI=1S/C24H25NO4/c1-3-5-14-29-22-13-11-17(15-23(22)28-4-2)10-12-18-16-20(24(26)27)19-8-6-7-9-21(19)25-18/h6-13,15-16H,3-5,14H2,1-2H3,(H,26,27)/b12-10+
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