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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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