(2-octan-3-ylquinolin-3-yl) hydrogen carbonate

Systemtic Name: (2-octan-3-ylquinolin-3-yl) hydrogen carbonate Openeye Name: [2-(1-ethylhexyl)-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid (2-octan-3-yl-3-quinolinyl) ester IUPAC Name: (2-octan-3-ylquinolin-3-yl) hydrogen carbonate Traditional Name: carbonic acid [2-(1-ethylhexyl)-3-quinolyl] ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=NC2=CC=CC=C2C=C1OC(=O)O

Isomeric SMILES

CCCCCC(CC)C1=NC2=CC=CC=C2C=C1OC(=O)O

InChI

InChI=1S/C18H23NO3/c1-3-5-6-9-13(4-2)17-16(22-18(20)21)12-14-10-7-8-11-15(14)19-17/h7-8,10-13H,3-6,9H2,1-2H3,(H,20,21)