3-bromanyl-2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoic acid

Systemtic Name: 3-bromanyl-2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[4-(2,5-dimethylphenoxy)butylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[4-(2,5-dimethylphenoxy)butylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoic acid Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCCNC2=C(C=C(C=C2C(=O)O)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCCNC2=C(C=C(C=C2C(=O)O)C)Br

InChI

InChI=1S/C20H24BrNO3/c1-13-6-7-15(3)18(12-13)25-9-5-4-8-22-19-16(20(23)24)10-14(2)11-17(19)21/h6-7,10-12,22H,4-5,8-9H2,1-3H3,(H,23,24)