(2S,3R)-2-(3-imidazol-1-ylpropylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: (2S,3R)-2-(3-imidazol-1-ylpropylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate Openeye Name: (2S,3R)-2-(3-imidazol-1-ylpropylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate CAS Name: (2S,3R)-2-[[3-(1-imidazolyl)propylamino]-oxomethyl]-3-bicyclo[2.2.2]octanecarboxylate IUPAC Name: (2S,3R)-2-(3-imidazol-1-ylpropylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate Traditional Name: (2S,3R)-2-(3-imidazol-1-ylpropylcarbamoyl)bicyclo[2.2.2]octane-3-carboxylate Formula: C16H22N3O3- MolecularWeight: 304.36418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1C(C2C(=O)[O-])C(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1CC2CCC1[C@@H]([C@@H]2C(=O)[O-])C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C16H23N3O3/c20-15(18-6-1-8-19-9-7-17-10-19)13-11-2-4-12(5-3-11)14(13)16(21)22/h7,9-14H,1-6,8H2,(H,18,20)(H,21,22)/p-1/t11?,12?,13-,14+/m0/s1