7-[2-oxidanylidene-3-(pentylcarbamoyloxymethyl)pyrrolidin-1-yl]hept-5-ynoic acid

Systemtic Name: 7-[2-oxidanylidene-3-(pentylcarbamoyloxymethyl)pyrrolidin-1-yl]hept-5-ynoic acid Openeye Name: 7-[2-oxo-3-(pentylcarbamoyloxymethyl)pyrrolidin-1-yl]hept-5-ynoic acid CAS Name: 7-[2-oxo-3-[[oxo-(pentylamino)methoxy]methyl]-1-pyrrolidinyl]-5-heptynoic acid IUPAC Name: 7-[2-oxo-3-(pentylcarbamoyloxymethyl)pyrrolidin-1-yl]hept-5-ynoic acid Traditional Name: 7-[3-(amylcarbamoyloxymethyl)-2-keto-pyrrolidino]hept-5-ynoic acid Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)OCC1CCN(C1=O)CC#CCCCC(=O)O

Isomeric SMILES

CCCCCNC(=O)OCC1CCN(C1=O)CC#CCCCC(=O)O

InChI

InChI=1S/C18H28N2O5/c1-2-3-7-11-19-18(24)25-14-15-10-13-20(17(15)23)12-8-5-4-6-9-16(21)22/h15H,2-4,6-7,9-14H2,1H3,(H,19,24)(H,21,22)