1-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-3,4-dimethyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-3,4-dimethyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-3,4-dimethyl-cyclohexanecarboxylic acid CAS Name: 1-[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]amino]-3,4-dimethyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3,4-dimethylcyclohexane-1-carboxylic acid Traditional Name: 1-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-3,4-dimethyl-cyclohexanecarboxylic acid Formula: C17H21ClFNO3 MolecularWeight: 341.804943

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1C)(C(=O)O)NC(=O)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC1CCC(CC1C)(C(=O)O)NC(=O)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H21ClFNO3/c1-10-6-7-17(16(22)23,9-11(10)2)20-15(21)8-12-13(18)4-3-5-14(12)19/h3-5,10-11H,6-9H2,1-2H3,(H,20,21)(H,22,23)