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

Systemtic Name: 3-bromanyl-5-methyl-2-(3-naphthalen-2-yloxypropylamino)benzoic acid Openeye Name: 3-bromo-5-methyl-2-[3-(2-naphthyloxy)propylamino]benzoic acid CAS Name: 3-bromo-5-methyl-2-[3-(2-naphthalenyloxy)propylamino]benzoic acid IUPAC Name: 3-bromo-5-methyl-2-(3-naphthalen-2-yloxypropylamino)benzoic acid Traditional Name: 3-bromo-5-methyl-2-[3-(2-naphthoxy)propylamino]benzoic acid Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC3=CC=CC=C3C=C2)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C21H20BrNO3/c1-14-11-18(21(24)25)20(19(22)12-14)23-9-4-10-26-17-8-7-15-5-2-3-6-16(15)13-17/h2-3,5-8,11-13,23H,4,9-10H2,1H3,(H,24,25)