(phenylmethyl) 3-but-3-ynyl-2-oxidanyl-4-oxidanylidene-3,7-diazabicyclo[3.3.1]nonane-7-carboxylate

Systemtic Name: (phenylmethyl) 3-but-3-ynyl-2-oxidanyl-4-oxidanylidene-3,7-diazabicyclo[3.3.1]nonane-7-carboxylate Openeye Name: benzyl 3-but-3-ynyl-2-hydroxy-4-oxo-3,7-diazabicyclo[3.3.1]nonane-7-carboxylate CAS Name: 3-but-3-ynyl-2-hydroxy-4-oxo-3,7-diazabicyclo[3.3.1]nonane-7-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-but-3-ynyl-2-hydroxy-4-oxo-3,7-diazabicyclo[3.3.1]nonane-7-carboxylate Traditional Name: 3-but-3-ynyl-2-hydroxy-4-keto-3,7-diazabicyclo[3.3.1]nonane-7-carboxylic acid benzyl ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCN1C(C2CC(C1=O)CN(C2)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

C#CCCN1C(C2CC(C1=O)CN(C2)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C19H22N2O4/c1-2-3-9-21-17(22)15-10-16(18(21)23)12-20(11-15)19(24)25-13-14-7-5-4-6-8-14/h1,4-8,15-17,22H,3,9-13H2