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

Systemtic Name: (2-heptan-2-ylquinolin-3-yl) hydrogen carbonate Openeye Name: [2-(1-methylhexyl)-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid (2-heptan-2-yl-3-quinolinyl) ester IUPAC Name: (2-heptan-2-ylquinolin-3-yl) hydrogen carbonate Traditional Name: carbonic acid [2-(1-methylhexyl)-3-quinolyl] ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3/c1-3-4-5-8-12(2)16-15(21-17(19)20)11-13-9-6-7-10-14(13)18-16/h6-7,9-12H,3-5,8H2,1-2H3,(H,19,20)