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

Systemtic Name: 5-bromanyl-2-[3-(4-methylphenoxy)propylamino]benzoic acid Openeye Name: 5-bromo-2-[3-(4-methylphenoxy)propylamino]benzoic acid CAS Name: 5-bromo-2-[3-(4-methylphenoxy)propylamino]benzoic acid IUPAC Name: 5-bromo-2-[3-(4-methylphenoxy)propylamino]benzoic acid Traditional Name: 5-bromo-2-[3-(4-methylphenoxy)propylamino]benzoic acid Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCNC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCCNC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H18BrNO3/c1-12-3-6-14(7-4-12)22-10-2-9-19-16-8-5-13(18)11-15(16)17(20)21/h3-8,11,19H,2,9-10H2,1H3,(H,20,21)