7-[2-(hydroxymethyl)-6-oxidanylidene-piperidin-1-yl]hept-5-ynoic acid

Systemtic Name: 7-[2-(hydroxymethyl)-6-oxidanylidene-piperidin-1-yl]hept-5-ynoic acid Openeye Name: 7-[2-(hydroxymethyl)-6-oxo-1-piperidyl]hept-5-ynoic acid CAS Name: 7-[2-(hydroxymethyl)-6-oxo-1-piperidinyl]-5-heptynoic acid IUPAC Name: 7-[2-(hydroxymethyl)-6-oxopiperidin-1-yl]hept-5-ynoic acid Traditional Name: 7-(2-keto-6-methylol-piperidino)hept-5-ynoic acid Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CC#CCCCC(=O)O)CO

Isomeric SMILES

C1CC(N(C(=O)C1)CC#CCCCC(=O)O)CO

InChI

InChI=1S/C13H19NO4/c15-10-11-6-5-7-12(16)14(11)9-4-2-1-3-8-13(17)18/h11,15H,1,3,5-10H2,(H,17,18)