diethyl (1S,5R)-4-acetyloxy-2-hex-1-ynyl-6,7-diazabicyclo[3.2.2]non-3-ene-6,7-dicarboxylate

Systemtic Name: diethyl (1S,5R)-4-acetyloxy-2-hex-1-ynyl-6,7-diazabicyclo[3.2.2]non-3-ene-6,7-dicarboxylate Openeye Name: diethyl (1S,5R)-4-acetoxy-2-hex-1-ynyl-6,7-diazabicyclo[3.2.2]non-3-ene-6,7-dicarboxylate CAS Name: (1S,5R)-4-acetyloxy-2-hex-1-ynyl-6,7-diazabicyclo[3.2.2]non-3-ene-6,7-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,5R)-4-acetyloxy-2-hex-1-ynyl-6,7-diazabicyclo[3.2.2]non-3-ene-6,7-dicarboxylate Traditional Name: (1S,5R)-4-acetoxy-2-hex-1-ynyl-6,7-diazabicyclo[3.2.2]non-3-ene-6,7-dicarboxylic acid diethyl ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1C=C(C2CCC1N(N2C(=O)OCC)C(=O)OCC)OC(=O)C

Isomeric SMILES

CCCCC#CC1C=C([C@H]2CC[C@@H]1N(N2C(=O)OCC)C(=O)OCC)OC(=O)C

InChI

InChI=1S/C21H30N2O6/c1-5-8-9-10-11-16-14-19(29-15(4)24)18-13-12-17(16)22(20(25)27-6-2)23(18)21(26)28-7-3/h14,16-18H,5-9,12-13H2,1-4H3/t16?,17-,18+/m0/s1