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ethyl,(4R)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[2,,1-e

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摘 要: ethyl,(4R)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[2,,1-e]pyridine-3-carboxylate,Canonical SMILES: CCOC1=CC=CC=C1C2C3=C(C4=CC=CC=C4C3=O)NC(=C2C(=O)OCC)C,Isomeric SMILES: CCOC1=CC=CC=C1[C@@H]2C3=C(C4=CC=CC=C4C3=O)NC(=C2C(=O)OCC)C,InChI: I
[Synonyms]

[Structure]
 ethyl,(4R)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[2,,1-e

[ Properties Computed from Structure]
Molecular Weight389.44372 [g/mol]
Molecular FormulaC24H23NO4
XLogP4.2
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count4
Exact Mass389.162708
MonoIsotopic Mass389.162708
Topological Polar Surface Area64.6
Heavy Atom Count29
Formal Charge0
Complexity737
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-ethoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[2,
1-e]pyridine-3-carboxylate
Canonical SMILES: CCOC1=CC=CC=C1C2C3=C(C4=CC=CC=C4C3=O)NC(=C2C(=O)OCC)C
Isomeric SMILES: CCOC1=CC=CC=C1[C@@H]2C3=C(C4=CC=CC=C4C3=O)NC(=C2C(=O)OCC)C
InChI: InChI=1/C24H23NO4/c1-4-28-18-13-9-8-12-17(18)20-19(24(27)29-5-2)14(3)25-
22-15-10-6-7-11-16(15)23(26)21(20)22/h6-13,20,25H,4-5H2,1-3H3/t20-/m0/s1

 
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