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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCCNC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCCNC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C19H21BrClNO3/c1-12-9-15(10-13(2)18(12)21)25-8-4-3-7-22-17-6-5-14(20)11-16(17)19(23)24/h5-6,9-11,22H,3-4,7-8H2,1-2H3,(H,23,24)