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

Systemtic Name: 4-fluoranyl-3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid Openeye Name: 4-fluoro-3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid CAS Name: 4-fluoro-3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid IUPAC Name: 4-fluoro-3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid Traditional Name: 4-fluoro-3-[(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=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

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

InChI

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