3-[[(1R,2R)-2-carboxylatocyclohexyl]carbonylamino]benzoate

Systemtic Name: 3-[[(1R,2R)-2-carboxylatocyclohexyl]carbonylamino]benzoate Openeye Name: 3-[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]benzoate CAS Name: 3-[[[(1R,2R)-2-carboxylatocyclohexyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]benzoate Traditional Name: 3-[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]benzoate Formula: C15H15NO5-2 MolecularWeight: 289.2833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=CC(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NC2=CC=CC(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H17NO5/c17-13(11-6-1-2-7-12(11)15(20)21)16-10-5-3-4-9(8-10)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)(H,20,21)/p-2/t11-,12-/m1/s1