2-fluoranyl-5-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid

Systemtic Name: 2-fluoranyl-5-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid Openeye Name: 2-fluoro-5-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid CAS Name: 2-fluoro-5-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid IUPAC Name: 2-fluoro-5-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid Traditional Name: 2-fluoro-5-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid Formula: C16H22FNO2 MolecularWeight: 279.349783

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC2=CC(=C(C=C2)F)C(=O)O

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC2=CC(=C(C=C2)F)C(=O)O

InChI

InChI=1S/C16H22FNO2/c1-10-6-12(9-16(2,3)8-10)18-11-4-5-14(17)13(7-11)15(19)20/h4-5,7,10,12,18H,6,8-9H2,1-3H3,(H,19,20)