(3E,5Z)-5-methoxycarbonyl-2-oxidanylidene-6-pyrrolidin-1-yl-1-benzoxocine-4-carboxylic acid

Systemtic Name: (3E,5Z)-5-methoxycarbonyl-2-oxidanylidene-6-pyrrolidin-1-yl-1-benzoxocine-4-carboxylic acid Openeye Name: (3E,5Z)-5-methoxycarbonyl-2-oxo-6-pyrrolidin-1-yl-1-benzoxocine-4-carboxylic acid CAS Name: (3E,5Z)-5-methoxycarbonyl-2-oxo-6-(1-pyrrolidinyl)-1-benzoxocin-4-carboxylic acid IUPAC Name: (3E,5Z)-5-methoxycarbonyl-2-oxo-6-pyrrolidin-1-yl-1-benzoxocine-4-carboxylic acid Traditional Name: (3E,5Z)-5-carbomethoxy-2-keto-6-pyrrolidino-1-benzoxocin-4-carboxylic acid Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2OC(=O)C=C1C(=O)O)N3CCCC3

Isomeric SMILES

COC(=O)/C/1=C(/C2=CC=CC=C2OC(=O)/C=C1/C(=O)O)\N3CCCC3

InChI

InChI=1S/C18H17NO6/c1-24-18(23)15-12(17(21)22)10-14(20)25-13-7-3-2-6-11(13)16(15)19-8-4-5-9-19/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,22)/b12-10+,16-15-