4-[[(1R,6R)-6-carboxylatocyclohex-3-en-1-yl]carbonylamino]benzoate

Systemtic Name: 4-[[(1R,6R)-6-carboxylatocyclohex-3-en-1-yl]carbonylamino]benzoate Openeye Name: 4-[[(1R,6R)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]benzoate CAS Name: 4-[[[(1R,6R)-6-carboxylato-1-cyclohex-3-enyl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[(1R,6R)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]benzoate Traditional Name: 4-[[(1R,6R)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]benzoate Formula: C15H13NO5-2 MolecularWeight: 287.26742

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C=CC[C@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H15NO5/c17-13(11-3-1-2-4-12(11)15(20)21)16-10-7-5-9(6-8-10)14(18)19/h1-2,5-8,11-12H,3-4H2,(H,16,17)(H,18,19)(H,20,21)/p-2/t11-,12-/m1/s1