5-bromanyl-2-(4-naphthalen-1-yloxybutylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(4-naphthalen-1-yloxybutylamino)benzoic acid Openeye Name: 5-bromo-2-[4-(1-naphthyloxy)butylamino]benzoic acid CAS Name: 5-bromo-2-[4-(1-naphthalenyloxy)butylamino]benzoic acid IUPAC Name: 5-bromo-2-(4-naphthalen-1-yloxybutylamino)benzoic acid Traditional Name: 5-bromo-2-[4-(1-naphthoxy)butylamino]benzoic acid Formula: C21H20BrNO3 MolecularWeight: 414.2924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OCCCCNC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OCCCCNC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C21H20BrNO3/c22-16-10-11-19(18(14-16)21(24)25)23-12-3-4-13-26-20-9-5-7-15-6-1-2-8-17(15)20/h1-2,5-11,14,23H,3-4,12-13H2,(H,24,25)