3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propoxy]benzoate

Systemtic Name: 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propoxy]benzoate Openeye Name: 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propoxy]benzoate CAS Name: 3-[3-[(2S,6S)-2,6-dimethyl-4-morpholinyl]propoxy]benzoate IUPAC Name: 3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propoxy]benzoate Traditional Name: 3-[3-[(2S,6S)-2,6-dimethylmorpholino]propoxy]benzoate Formula: C16H22NO4- MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)CCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)CCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H23NO4/c1-12-10-17(11-13(2)21-12)7-4-8-20-15-6-3-5-14(9-15)16(18)19/h3,5-6,9,12-13H,4,7-8,10-11H2,1-2H3,(H,18,19)/p-1/t12-,13-/m0/s1