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

Systemtic Name: 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethylamino]-3-methyl-benzoic acid Openeye Name: 2-[2-(4-chloro-3,5-dimethyl-phenoxy)ethylamino]-3-methyl-benzoic acid CAS Name: 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]-3-methylbenzoic acid IUPAC Name: 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]-3-methylbenzoic acid Traditional Name: 2-[2-(4-chloro-3,5-dimethyl-phenoxy)ethylamino]-3-methyl-benzoic acid Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NCCOC2=CC(=C(C(=C2)C)Cl)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NCCOC2=CC(=C(C(=C2)C)Cl)C)C(=O)O

InChI

InChI=1S/C18H20ClNO3/c1-11-5-4-6-15(18(21)22)17(11)20-7-8-23-14-9-12(2)16(19)13(3)10-14/h4-6,9-10,20H,7-8H2,1-3H3,(H,21,22)