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

Systemtic Name: 3-bromanyl-5-methyl-2-(3-naphthalen-1-yloxypropylamino)benzoic acid Openeye Name: 3-bromo-5-methyl-2-[3-(1-naphthyloxy)propylamino]benzoic acid CAS Name: 3-bromo-5-methyl-2-[3-(1-naphthalenyloxy)propylamino]benzoic acid IUPAC Name: 3-bromo-5-methyl-2-(3-naphthalen-1-yloxypropylamino)benzoic acid Traditional Name: 3-bromo-5-methyl-2-[3-(1-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=CC=CC3=CC=CC=C32)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC=CC3=CC=CC=C32)Br

InChI

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