3-bromanyl-2-[4-(4-tert-butylphenoxy)butylamino]-5-methyl-benzoic acid

Systemtic Name: 3-bromanyl-2-[4-(4-tert-butylphenoxy)butylamino]-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[4-(4-tert-butylphenoxy)butylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[4-(4-tert-butylphenoxy)butylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[4-(4-tert-butylphenoxy)butylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[4-(4-tert-butylphenoxy)butylamino]-5-methyl-benzoic acid Formula: C22H28BrNO3 MolecularWeight: 434.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCCCCOC2=CC=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCCCOC2=CC=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C22H28BrNO3/c1-15-13-18(21(25)26)20(19(23)14-15)24-11-5-6-12-27-17-9-7-16(8-10-17)22(2,3)4/h7-10,13-14,24H,5-6,11-12H2,1-4H3,(H,25,26)