(6-butoxy-3-phenylmethoxy-quinolin-2-yl) hydrogen carbonate

Systemtic Name: (6-butoxy-3-phenylmethoxy-quinolin-2-yl) hydrogen carbonate Openeye Name: (3-benzyloxy-6-butoxy-2-quinolyl) hydrogen carbonate CAS Name: carbonic acid (6-butoxy-3-phenylmethoxy-2-quinolinyl) ester IUPAC Name: (6-butoxy-3-phenylmethoxyquinolin-2-yl) hydrogen carbonate Traditional Name: carbonic acid (3-benzoxy-6-butoxy-2-quinolyl) ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=CC(=C(N=C2C=C1)OC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC2=CC(=C(N=C2C=C1)OC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO5/c1-2-3-11-25-17-9-10-18-16(12-17)13-19(20(22-18)27-21(23)24)26-14-15-7-5-4-6-8-15/h4-10,12-13H,2-3,11,14H2,1H3,(H,23,24)