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

Systemtic Name: 3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid Openeye Name: 3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid CAS Name: 3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid IUPAC Name: 3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid Traditional Name: 3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2/c1-11-7-14(10-16(2,3)9-11)17-13-6-4-5-12(8-13)15(18)19/h4-6,8,11,14,17H,7,9-10H2,1-3H3,(H,18,19)