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Butyl 4-({[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)benzoate

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Butyl 4-({[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)benzoate
SpectraBase Compound ID 9AY8XczmKfj
InChI InChI=1S/C29H28N2O5/c1-4-5-16-36-29(33)19-10-12-20(13-11-19)30-28(32)24-18-26(31-25-9-7-6-8-22(24)25)23-15-14-21(34-2)17-27(23)35-3/h6-15,17-18H,4-5,16H2,1-3H3,(H,30,32)
InChIKey KWUKTRWPRKMPEI-UHFFFAOYSA-N
Mol Weight 484.55 g/mol
Molecular Formula C29H28N2O5
Exact Mass 484.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4urZH5rjFK
Name Butyl 4-({[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 484.199822005 u
Formula C29H28N2O5
InChI InChI=1S/C29H28N2O5/c1-4-5-16-36-29(33)19-10-12-20(13-11-19)30-28(32)24-18-26(31-25-9-7-6-8-22(24)25)23-15-14-21(34-2)17-27(23)35-3/h6-15,17-18H,4-5,16H2,1-3H3,(H,30,32)
InChIKey KWUKTRWPRKMPEI-UHFFFAOYSA-N
Molecular Weight 484.552 g/mol
SMILES N(C(C=1C=C(N=C2C=CC=CC12)C1=C(C=C(C=C1)OC)OC)=O)C1=CC=C(C(=O)OCCCC)C=C1