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

Systemtic Name: 3-bromanyl-2-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propylamino]-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[3-(4-chloro-3,5-dimethyl-phenoxy)propylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[3-(4-chloro-3,5-dimethylphenoxy)propylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[3-(4-chloro-3,5-dimethylphenoxy)propylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[3-(4-chloro-3,5-dimethyl-phenoxy)propylamino]-5-methyl-benzoic acid Formula: C19H21BrClNO3 MolecularWeight: 426.73194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC(=C(C(=C2)C)Cl)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC(=C(C(=C2)C)Cl)C)Br

InChI

InChI=1S/C19H21BrClNO3/c1-11-7-15(19(23)24)18(16(20)8-11)22-5-4-6-25-14-9-12(2)17(21)13(3)10-14/h7-10,22H,4-6H2,1-3H3,(H,23,24)