1-[[2-chloranyl-2-(2-fluorophenyl)ethanoyl]amino]-4-phenyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-2-(2-fluorophenyl)ethanoyl]amino]-4-phenyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[[2-chloro-2-(2-fluorophenyl)acetyl]amino]-4-phenyl-cyclohexanecarboxylic acid CAS Name: 1-[[2-chloro-2-(2-fluorophenyl)-1-oxoethyl]amino]-4-phenyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[2-chloro-2-(2-fluorophenyl)acetyl]amino]-4-phenylcyclohexane-1-carboxylic acid Traditional Name: 1-[[2-chloro-2-(2-fluorophenyl)acetyl]amino]-4-phenyl-cyclohexanecarboxylic acid Formula: C21H21ClFNO3 MolecularWeight: 389.847743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)(C(=O)O)NC(=O)C(C3=CC=CC=C3F)Cl

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)(C(=O)O)NC(=O)C(C3=CC=CC=C3F)Cl

InChI

InChI=1S/C21H21ClFNO3/c22-18(16-8-4-5-9-17(16)23)19(25)24-21(20(26)27)12-10-15(11-13-21)14-6-2-1-3-7-14/h1-9,15,18H,10-13H2,(H,24,25)(H,26,27)