4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzoate

Systemtic Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzoate Openeye Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzoate CAS Name: 4-[(2S,6S)-2,6-dimethyl-4-morpholinyl]benzoate IUPAC Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzoate Traditional Name: 4-[(2S,6S)-2,6-dimethylmorpholino]benzoate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H17NO3/c1-9-7-14(8-10(2)17-9)12-5-3-11(4-6-12)13(15)16/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)/p-1/t9-,10-/m0/s1