(1R,2S)-2-[(3-chloranyl-5-fluoranyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(3-chloranyl-5-fluoranyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(3-chloro-5-fluoro-phenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[(3-chloro-5-fluoroanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(3-chloro-5-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(3-chloro-5-fluoro-phenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C14H15ClFNO3 MolecularWeight: 299.725203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC(=CC(=C2)Cl)F)C(=O)O

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)NC2=CC(=CC(=C2)Cl)F)C(=O)O

InChI

InChI=1S/C14H15ClFNO3/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20)/t11-,12+/m0/s1