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ethyl,(4R)-4-[2-[(4-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxo-1,,4-

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摘 要: ethyl,(4R)-4-[2-[(4-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxo-1,,4-dihydroindeno[2,1-e]pyridine-3-carboxylate,Canonical SMILES: CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC4=CC=C(C=C4)F)C(=O)C5=CC=CC=C52)C,Isomeric SMILES: CCOC(=O)C1=C(NC2=C([C@H]1C3=CC=CC
[Synonyms]

[Structure]
 ethyl,(4R)-4-[2-[(4-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxo-1,,4-

[ Properties Computed from Structure]
Molecular Weight469.503563 [g/mol]
Molecular FormulaC29H24FNO4
XLogP5.6
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count7
Tautomer Count4
Exact Mass469.168936
MonoIsotopic Mass469.168936
Topological Polar Surface Area64.6
Heavy Atom Count35
Formal Charge0
Complexity887
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: ethyl
(4R)-4-[2-[(4-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxo-1,
4-dihydroindeno[2,1-e]pyridine-3-carboxylate
Canonical SMILES: CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC4=CC=C(C=C4)F)C(=O)C5=CC=CC=C52)C
Isomeric SMILES: CCOC(=O)C1=C(NC2=C([C@H]1C3=CC=CC=C3OCC4=CC=C(C=C4)F)C(=O)C5=CC=CC=C52)C
InChI: InChI=1/C29H24FNO4/c1-3-34-29(33)24-17(2)31-27-20-8-4-5-9-21(20)28(32)26
(27)25(24)22-10-6-7-11-23(22)35-16-18-12-14-19(30)15-13-18/h4-15,25,31H,
3,16H2,1-2H3/t25-/m0/s1

 
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