3-[1-(3,4-dimethylphenyl)ethylamino]benzoic acid

Systemtic Name: 3-[1-(3,4-dimethylphenyl)ethylamino]benzoic acid Openeye Name: 3-[1-(3,4-dimethylphenyl)ethylamino]benzoic acid CAS Name: 3-[1-(3,4-dimethylphenyl)ethylamino]benzoic acid IUPAC Name: 3-[1-(3,4-dimethylphenyl)ethylamino]benzoic acid Traditional Name: 3-[1-(3,4-dimethylphenyl)ethylamino]benzoic acid Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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