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

Systemtic Name: 3-bromanyl-5-methyl-2-[4-(3-methylphenoxy)butylamino]benzoic acid Openeye Name: 3-bromo-5-methyl-2-[4-(3-methylphenoxy)butylamino]benzoic acid CAS Name: 3-bromo-5-methyl-2-[4-(3-methylphenoxy)butylamino]benzoic acid IUPAC Name: 3-bromo-5-methyl-2-[4-(3-methylphenoxy)butylamino]benzoic acid Traditional Name: 3-bromo-5-methyl-2-[4-(3-methylphenoxy)butylamino]benzoic acid Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO3/c1-13-6-5-7-15(10-13)24-9-4-3-8-21-18-16(19(22)23)11-14(2)12-17(18)20/h5-7,10-12,21H,3-4,8-9H2,1-2H3,(H,22,23)