ethyl 1-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]isonipecotic acid ethyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCC(CC3)C(=O)OCC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCC(CC3)C(=O)OCC)O

InChI

InChI=1S/C20H25NO5/c1-3-13-9-16-15(10-19(23)26-18(16)11-17(13)22)12-21-7-5-14(6-8-21)20(24)25-4-2/h9-11,14,22H,3-8,12H2,1-2H3