452322-61-1

Name 4-Quinolinepropanoic acid, α-[(4-chlorobenzoyl)amino]-1,2-dihydro-2-oxo-, ethyl ester
CAS 452322-61-1
Molecular Formula C21H19ClN2O4
Molecular Weight 398.84
MOL File 452322-61-1.mol
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Chemical Properties

Boiling point  663.8±55.0 °C(Predicted)
density  1.296±0.06 g/cm3(Predicted)
pka 11.55±0.70(Predicted)
InChI InChI=1S/C21H19ClN2O4/c1-2-28-21(27)18(24-20(26)13-7-9-15(22)10-8-13)11-14-12-19(25)23-17-6-4-3-5-16(14)17/h3-10,12,18H,2,11H2,1H3,(H,23,25)(H,24,26)
InChIKey DINXJEAUFZETJE-UHFFFAOYSA-N
SMILES C(C1=CC(=O)NC2=CC=CC=C12)C(C(=O)OCC)NC(C1C=CC(Cl)=CC=1)=O

Spectrum Detail

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