5-bromanyl-2-(3-naphthalen-1-yloxypropylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(3-naphthalen-1-yloxypropylamino)benzoic acid Openeye Name: 5-bromo-2-[3-(1-naphthyloxy)propylamino]benzoic acid CAS Name: 5-bromo-2-[3-(1-naphthalenyloxy)propylamino]benzoic acid IUPAC Name: 5-bromo-2-(3-naphthalen-1-yloxypropylamino)benzoic acid Traditional Name: 5-bromo-2-[3-(1-naphthoxy)propylamino]benzoic acid Formula: C20H18BrNO3 MolecularWeight: 400.26582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OCCCNC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OCCCNC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H18BrNO3/c21-15-9-10-18(17(13-15)20(23)24)22-11-4-12-25-19-8-3-6-14-5-1-2-7-16(14)19/h1-3,5-10,13,22H,4,11-12H2,(H,23,24)