6-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid

Systemtic Name: 6-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid Openeye Name: 6-(3-fluoro-4-methoxy-phenyl)-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid CAS Name: 6-(3-fluoro-4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid IUPAC Name: 6-(3-fluoro-4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid Traditional Name: 6-(3-fluoro-4-methoxy-phenyl)-4-keto-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid Formula: C17H16FNO4 MolecularWeight: 317.311643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCC3=C(C(=O)C2)C(=CN3)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCC3=C(C(=O)C2)C(=CN3)C(=O)O)F

InChI

InChI=1S/C17H16FNO4/c1-23-15-5-3-9(6-12(15)18)10-2-4-13-16(14(20)7-10)11(8-19-13)17(21)22/h3,5-6,8,10,19H,2,4,7H2,1H3,(H,21,22)