3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid

Systemtic Name: 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid Openeye Name: 3-[[4-(1,1-dimethylpropyl)cyclohexyl]amino]benzoic acid CAS Name: 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid IUPAC Name: 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid Traditional Name: 3-[(4-tert-amylcyclohexyl)amino]benzoic acid Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H27NO2/c1-4-18(2,3)14-8-10-15(11-9-14)19-16-7-5-6-13(12-16)17(20)21/h5-7,12,14-15,19H,4,8-11H2,1-3H3,(H,20,21)