tert-butyl 3-[3-(5-ethyl-2-oxidanyl-phenyl)-3-oxidanylidene-propanoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[3-(5-ethyl-2-oxidanyl-phenyl)-3-oxidanylidene-propanoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[3-(5-ethyl-2-hydroxy-phenyl)-3-oxo-propanoyl]piperidine-1-carboxylate CAS Name: 3-[3-(5-ethyl-2-hydroxyphenyl)-1,3-dioxopropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(5-ethyl-2-hydroxyphenyl)-3-oxopropanoyl]piperidine-1-carboxylate Traditional Name: 3-[3-(5-ethyl-2-hydroxy-phenyl)-3-keto-propanoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)O)C(=O)CC(=O)C2CCCN(C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)O)C(=O)CC(=O)C2CCCN(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO5/c1-5-14-8-9-17(23)16(11-14)19(25)12-18(24)15-7-6-10-22(13-15)20(26)27-21(2,3)4/h8-9,11,15,23H,5-7,10,12-13H2,1-4H3