(1S,6S)-6-[(3-chloranyl-2-fluoranyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-[(3-chloranyl-2-fluoranyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[(3-chloro-2-fluoro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[(3-chloro-2-fluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[(3-chloro-2-fluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[(3-chloro-2-fluoro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C14H13ClFNO3 MolecularWeight: 297.709323

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C(=CC=C2)Cl)F)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@H]1C(=O)NC2=C(C(=CC=C2)Cl)F)C(=O)O

InChI

InChI=1S/C14H13ClFNO3/c15-10-6-3-7-11(12(10)16)17-13(18)8-4-1-2-5-9(8)14(19)20/h1-3,6-9H,4-5H2,(H,17,18)(H,19,20)/t8-,9-/m0/s1