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

Systemtic Name: 5-bromanyl-2-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propylamino]benzoic acid Openeye Name: 5-bromo-2-[3-(4-chloro-3,5-dimethyl-phenoxy)propylamino]benzoic acid CAS Name: 5-bromo-2-[3-(4-chloro-3,5-dimethylphenoxy)propylamino]benzoic acid IUPAC Name: 5-bromo-2-[3-(4-chloro-3,5-dimethylphenoxy)propylamino]benzoic acid Traditional Name: 5-bromo-2-[3-(4-chloro-3,5-dimethyl-phenoxy)propylamino]benzoic acid Formula: C18H19BrClNO3 MolecularWeight: 412.70536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCNC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCNC2=C(C=C(C=C2)Br)C(=O)O

InChI

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