3-[1-(2,5-dimethylphenyl)ethylamino]benzoic acid

Systemtic Name: 3-[1-(2,5-dimethylphenyl)ethylamino]benzoic acid Openeye Name: 3-[1-(2,5-dimethylphenyl)ethylamino]benzoic acid CAS Name: 3-[1-(2,5-dimethylphenyl)ethylamino]benzoic acid IUPAC Name: 3-[1-(2,5-dimethylphenyl)ethylamino]benzoic acid Traditional Name: 3-[1-(2,5-dimethylphenyl)ethylamino]benzoic acid Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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