2,5-dimethyl-6-oxidanylidene-4-(phenylmethoxycarbonylamino)oxane-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-6-oxidanylidene-4-(phenylmethoxycarbonylamino)oxane-3-carboxylic acid Openeye Name: 4-(benzyloxycarbonylamino)-2,5-dimethyl-6-oxo-tetrahydropyran-3-carboxylic acid CAS Name: 2,5-dimethyl-6-oxo-4-(phenylmethoxycarbonylamino)-3-oxanecarboxylic acid IUPAC Name: 2,5-dimethyl-6-oxo-4-(phenylmethoxycarbonylamino)oxane-3-carboxylic acid Traditional Name: 4-(benzyloxycarbonylamino)-6-keto-2,5-dimethyl-tetrahydropyran-3-carboxylic acid Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(OC1=O)C)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1C(C(C(OC1=O)C)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H19NO6/c1-9-13(12(14(18)19)10(2)23-15(9)20)17-16(21)22-8-11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3,(H,17,21)(H,18,19)