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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO3/c1-12-4-5-13(2)17(10-12)23-9-3-8-20-16-7-6-14(19)11-15(16)18(21)22/h4-7,10-11,20H,3,8-9H2,1-2H3,(H,21,22)