3-[(2,4,6-trimethylphenyl)methylamino]benzoic acid

Systemtic Name: 3-[(2,4,6-trimethylphenyl)methylamino]benzoic acid Openeye Name: 3-[(2,4,6-trimethylphenyl)methylamino]benzoic acid CAS Name: 3-[(2,4,6-trimethylphenyl)methylamino]benzoic acid IUPAC Name: 3-[(2,4,6-trimethylphenyl)methylamino]benzoic acid Traditional Name: 3-[(2,4,6-trimethylbenzyl)amino]benzoic acid Formula: C17H19NO2 MolecularWeight: 269.33826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CNC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CNC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C17H19NO2/c1-11-7-12(2)16(13(3)8-11)10-18-15-6-4-5-14(9-15)17(19)20/h4-9,18H,10H2,1-3H3,(H,19,20)