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

Systemtic Name: (1S,2S)-2-[(5-fluoranyl-2-methyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[(5-fluoro-2-methyl-phenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[(5-fluoro-2-methylanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[(5-fluoro-2-methyl-phenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C15H18FNO3 MolecularWeight: 279.306723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O

InChI

InChI=1S/C15H18FNO3/c1-9-6-7-10(16)8-13(9)17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20)/t11-,12-/m0/s1