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

Systemtic Name: 3-bromanyl-2-[3-(4-tert-butylphenoxy)propylamino]-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[3-(4-tert-butylphenoxy)propylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[3-(4-tert-butylphenoxy)propylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[3-(4-tert-butylphenoxy)propylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[3-(4-tert-butylphenoxy)propylamino]-5-methyl-benzoic acid Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C21H26BrNO3/c1-14-12-17(20(24)25)19(18(22)13-14)23-10-5-11-26-16-8-6-15(7-9-16)21(2,3)4/h6-9,12-13,23H,5,10-11H2,1-4H3,(H,24,25)