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

Systemtic Name: 4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid Openeye Name: 4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid CAS Name: 4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid IUPAC Name: 4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid Traditional Name: 4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]benzoic acid Formula: C17H25NO2 MolecularWeight: 275.3859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2/c1-11-7-14(10-17(3,4)9-11)18-15-8-13(16(19)20)6-5-12(15)2/h5-6,8,11,14,18H,7,9-10H2,1-4H3,(H,19,20)