methyl 6-(2-oxidanyl-6-oxidanylidene-piperidin-1-yl)hex-2-ynoate

Systemtic Name: methyl 6-(2-oxidanyl-6-oxidanylidene-piperidin-1-yl)hex-2-ynoate Openeye Name: methyl 6-(2-hydroxy-6-oxo-1-piperidyl)hex-2-ynoate CAS Name: 6-(2-hydroxy-6-oxo-1-piperidinyl)-2-hexynoic acid methyl ester IUPAC Name: methyl 6-(2-hydroxy-6-oxopiperidin-1-yl)hex-2-ynoate Traditional Name: 6-(2-hydroxy-6-keto-piperidino)hex-2-ynoic acid methyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCCCN1C(CCCC1=O)O

Isomeric SMILES

COC(=O)C#CCCCN1C(CCCC1=O)O

InChI

InChI=1S/C12H17NO4/c1-17-12(16)8-3-2-4-9-13-10(14)6-5-7-11(13)15/h10,14H,2,4-7,9H2,1H3