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

Systemtic Name: 5-bromanyl-2-[4-(4-chloranyl-3-methyl-phenoxy)butylamino]benzoic acid Openeye Name: 5-bromo-2-[4-(4-chloro-3-methyl-phenoxy)butylamino]benzoic acid CAS Name: 5-bromo-2-[4-(4-chloro-3-methylphenoxy)butylamino]benzoic acid IUPAC Name: 5-bromo-2-[4-(4-chloro-3-methylphenoxy)butylamino]benzoic acid Traditional Name: 5-bromo-2-[4-(4-chloro-3-methyl-phenoxy)butylamino]benzoic acid Formula: C18H19BrClNO3 MolecularWeight: 412.70536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCNC2=C(C=C(C=C2)Br)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCNC2=C(C=C(C=C2)Br)C(=O)O)Cl

InChI

InChI=1S/C18H19BrClNO3/c1-12-10-14(5-6-16(12)20)24-9-3-2-8-21-17-7-4-13(19)11-15(17)18(22)23/h4-7,10-11,21H,2-3,8-9H2,1H3,(H,22,23)