7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-oxidanylidene-hept-2-ynoic acid

Systemtic Name: 7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-oxidanylidene-hept-2-ynoic acid Openeye Name: 7-(1-tert-butoxycarbonyl-4-piperidyl)-4-oxo-hept-2-ynoic acid CAS Name: 7-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-oxo-2-heptynoic acid IUPAC Name: 7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-oxohept-2-ynoic acid Traditional Name: 7-(1-tert-butoxycarbonyl-4-piperidyl)-4-keto-hept-2-ynoic acid Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCC(=O)C#CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCC(=O)C#CC(=O)O

InChI

InChI=1S/C17H25NO5/c1-17(2,3)23-16(22)18-11-9-13(10-12-18)5-4-6-14(19)7-8-15(20)21/h13H,4-6,9-12H2,1-3H3,(H,20,21)