(2S,6E)-9-methoxycarbonyl-10-oxidanylidene-2,3,4,5,8,9-hexahydro-1H-azecine-2-carboxylic acid

Systemtic Name: (2S,6E)-9-methoxycarbonyl-10-oxidanylidene-2,3,4,5,8,9-hexahydro-1H-azecine-2-carboxylic acid Openeye Name: (2S,6E)-9-methoxycarbonyl-10-oxo-2,3,4,5,8,9-hexahydro-1H-azecine-2-carboxylic acid CAS Name: (2S,6E)-9-methoxycarbonyl-10-oxo-2,3,4,5,8,9-hexahydro-1H-azecine-2-carboxylic acid IUPAC Name: (2S,6E)-9-methoxycarbonyl-10-oxo-2,3,4,5,8,9-hexahydro-1H-azecine-2-carboxylic acid Traditional Name: (2S,6E)-9-carbomethoxy-10-keto-2,3,4,5,8,9-hexahydro-1H-azecine-2-carboxylic acid Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CCCCC(NC1=O)C(=O)O

Isomeric SMILES

COC(=O)C1C/C=C/CCC[C@H](NC1=O)C(=O)O

InChI

InChI=1S/C12H17NO5/c1-18-12(17)8-6-4-2-3-5-7-9(11(15)16)13-10(8)14/h2,4,8-9H,3,5-7H2,1H3,(H,13,14)(H,15,16)/b4-2+/t8?,9-/m0/s1