4-[1-(2,4-dimethylphenyl)ethylamino]benzoic acid

Systemtic Name: 4-[1-(2,4-dimethylphenyl)ethylamino]benzoic acid Openeye Name: 4-[1-(2,4-dimethylphenyl)ethylamino]benzoic acid CAS Name: 4-[1-(2,4-dimethylphenyl)ethylamino]benzoic acid IUPAC Name: 4-[1-(2,4-dimethylphenyl)ethylamino]benzoic acid Traditional Name: 4-[1-(2,4-dimethylphenyl)ethylamino]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(C)NC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)NC2=CC=C(C=C2)C(=O)O)C

InChI

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