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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCCOC2=CC(=C(C=C2)Cl)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NCCOC2=CC(=C(C=C2)Cl)C)C(=O)O

InChI

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