3-[1-(2,4,5-trimethylphenyl)ethylamino]benzoic acid

Systemtic Name: 3-[1-(2,4,5-trimethylphenyl)ethylamino]benzoic acid Openeye Name: 3-[1-(2,4,5-trimethylphenyl)ethylamino]benzoic acid CAS Name: 3-[1-(2,4,5-trimethylphenyl)ethylamino]benzoic acid IUPAC Name: 3-[1-(2,4,5-trimethylphenyl)ethylamino]benzoic acid Traditional Name: 3-[1-(2,4,5-trimethylphenyl)ethylamino]benzoic acid Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)C(C)NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)C(C)NC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C18H21NO2/c1-11-8-13(3)17(9-12(11)2)14(4)19-16-7-5-6-15(10-16)18(20)21/h5-10,14,19H,1-4H3,(H,20,21)