3-bromanyl-5-methyl-2-(4-naphthalen-2-yloxybutylamino)benzoic acid

Systemtic Name: 3-bromanyl-5-methyl-2-(4-naphthalen-2-yloxybutylamino)benzoic acid Openeye Name: 3-bromo-5-methyl-2-[4-(2-naphthyloxy)butylamino]benzoic acid CAS Name: 3-bromo-5-methyl-2-[4-(2-naphthalenyloxy)butylamino]benzoic acid IUPAC Name: 3-bromo-5-methyl-2-(4-naphthalen-2-yloxybutylamino)benzoic acid Traditional Name: 3-bromo-5-methyl-2-[4-(2-naphthoxy)butylamino]benzoic acid Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCCCCOC2=CC3=CC=CC=C3C=C2)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCCCOC2=CC3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C22H22BrNO3/c1-15-12-19(22(25)26)21(20(23)13-15)24-10-4-5-11-27-18-9-8-16-6-2-3-7-17(16)14-18/h2-3,6-9,12-14,24H,4-5,10-11H2,1H3,(H,25,26)