3-(furan-3-ylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid

Systemtic Name: 3-(furan-3-ylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(furan-3-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[3-furanyl(oxo)methyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(furan-3-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-(3-furoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=CC=C2C(=O)C3=COC=C3)C(C1)C(=O)O

Isomeric SMILES

C1CCN2C(=CC=C2C(=O)C3=COC=C3)C(C1)C(=O)O

InChI

InChI=1S/C15H15NO4/c17-14(10-6-8-20-9-10)13-5-4-12-11(15(18)19)3-1-2-7-16(12)13/h4-6,8-9,11H,1-3,7H2,(H,18,19)