2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethylamino]benzoic acid

Systemtic Name: 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethylamino]benzoic acid Openeye Name: 2-[2-(4-chloro-3,5-dimethyl-phenoxy)ethylamino]benzoic acid CAS Name: 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]benzoic acid IUPAC Name: 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]benzoic acid Traditional Name: 2-[2-(4-chloro-3,5-dimethyl-phenoxy)ethylamino]benzoic acid Formula: C17H18ClNO3 MolecularWeight: 319.78272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCNC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCNC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H18ClNO3/c1-11-9-13(10-12(2)16(11)18)22-8-7-19-15-6-4-3-5-14(15)17(20)21/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,21)