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1001288-58-9 | Benzoic acid, 2-[[(2E)-3-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]-1-oxo-2-propen-1-yl]amino]-
CAS No: 1001288-58-9 Catalog No: AG000112 MDL No:
Product Description
Catalog Number:
AG000112
Chemical Name:
Benzoic acid, 2-[[(2E)-3-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]-1-oxo-2-propen-1-yl]amino]-
CAS Number:
1001288-58-9
Molecular Formula:
C20H17NO5
Molecular Weight:
351.3527
IUPAC Name:
2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid
InChI:
InChI=1S/C20H17NO5/c1-3-12-26-17-10-8-14(13-18(17)25-2)9-11-19(22)21-16-7-5-4-6-15(16)20(23)24/h1,4-11,13H,12H2,2H3,(H,21,22)(H,23,24)/b11-9+
InChI Key:
UIWZIDIJCUEOMT-PKNBQFBNSA-N
SMILES:
C#CCOc1ccc(cc1OC)/C=C/C(=O)Nc1ccccc1C(=O)O
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
351.111g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.358g/mol
Monoisotopic Mass:
351.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| FT011, a new anti-fibrotic drug, attenuates fibrosis and chronic heart failure in experimental diabetic cardiomyopathy. | European journal of heart failure 20120501 |
| Evaluation and optimization of antifibrotic activity of cinnamoyl anthranilates. | Bioorganic & medicinal chemistry letters 20091215 |
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