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Propyl 4-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)benzoate

View entire compound with spectra: 2 NMR

Propyl 4-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)benzoate
SpectraBase Compound ID F9F3C7CvODJ
InChI InChI=1S/C27H22N2O5/c1-2-13-32-27(31)17-7-10-19(11-8-17)28-26(30)21-15-23(29-22-6-4-3-5-20(21)22)18-9-12-24-25(14-18)34-16-33-24/h3-12,14-15H,2,13,16H2,1H3,(H,28,30)
InChIKey BJCWYRWWMLPPAF-UHFFFAOYSA-N
Mol Weight 454.48 g/mol
Molecular Formula C27H22N2O5
Exact Mass 454.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DkPzxQaNfvY
Name Propyl 4-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 454.152871811 u
Formula C27H22N2O5
InChI InChI=1S/C27H22N2O5/c1-2-13-32-27(31)17-7-10-19(11-8-17)28-26(30)21-15-23(29-22-6-4-3-5-20(21)22)18-9-12-24-25(14-18)34-16-33-24/h3-12,14-15H,2,13,16H2,1H3,(H,28,30)
InChIKey BJCWYRWWMLPPAF-UHFFFAOYSA-N
Molecular Weight 454.482 g/mol
SMILES N(C1=CC=C(C(=O)OCCC)C=C1)C(C1=CC(C2=CC=3OCOC3C=C2)=NC=2C1=CC=CC2)=O