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

Systemtic Name: 3-bromanyl-2-[4-(4-methoxyphenoxy)butylamino]-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[4-(4-methoxyphenoxy)butylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[4-(4-methoxyphenoxy)butylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[4-(4-methoxyphenoxy)butylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[4-(4-methoxyphenoxy)butylamino]-5-methyl-benzoic acid Formula: C19H22BrNO4 MolecularWeight: 408.28628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO4/c1-13-11-16(19(22)23)18(17(20)12-13)21-9-3-4-10-25-15-7-5-14(24-2)6-8-15/h5-8,11-12,21H,3-4,9-10H2,1-2H3,(H,22,23)