5-bromanyl-2-[3-(2,3-dimethylphenoxy)propylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[3-(2,3-dimethylphenoxy)propylamino]benzoic acid Openeye Name: 5-bromo-2-[3-(2,3-dimethylphenoxy)propylamino]benzoic acid CAS Name: 5-bromo-2-[3-(2,3-dimethylphenoxy)propylamino]benzoic acid IUPAC Name: 5-bromo-2-[3-(2,3-dimethylphenoxy)propylamino]benzoic acid Traditional Name: 5-bromo-2-[3-(2,3-dimethylphenoxy)propylamino]benzoic acid Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO3/c1-12-5-3-6-17(13(12)2)23-10-4-9-20-16-8-7-14(19)11-15(16)18(21)22/h3,5-8,11,20H,4,9-10H2,1-2H3,(H,21,22)